[ CAS No. 902135-91-5 ] {[proInfo.proName]}

Name: 902135-91-5|4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide hydrochloride|98%
Brand: Ambeed
SKU: A353288
Price: 50.0 USD
Availability: InStock
Rating: 91 (25 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 902135-91-5 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 902135-91-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 902135-91-5 ]

SDS Specification

Alternatived Products of [ 902135-91-5 ]

Product Details of [ 902135-91-5 ]

CAS No. :	902135-91-5	MDL No. :	MFCD14636428
Formula :	C₁₆H₁₈Cl₃N₅O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PAOFPNGYBWGKCO-UHFFFAOYSA-N
M.W :	418.71	Pubchem ID :	25033099
Synonyms :	AT7519 (hydrochloride);AT7519 Hydrochloride

Calculated chemistry of [ 902135-91-5 ]

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.31
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	106.61
TPSA :	98.91 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.39
Log Po/w (WLOGP) :	2.68
Log Po/w (MLOGP) :	1.91
Log Po/w (SILICOS-IT) :	2.71
Consensus Log Po/w :	2.14

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.49
Solubility :	0.0136 mg/ml ; 0.0000325 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.15
Solubility :	0.00299 mg/ml ; 0.00000714 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.13
Solubility :	0.00031 mg/ml ; 0.00000074 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.71

Safety of [ 902135-91-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 902135-91-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 902135-91-5 ]

[ 902135-91-5 ] Synthesis Path-Downstream 1~10

1
[ 902135-91-5 ]
[ 124-63-0 ]
[ 902156-99-4 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;	1.1F To a mixture of 4-(2,6-dichloro-ben2oylamino)-1H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride (1 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (2.2 mmol) followed by the methanesulphonyl chloride (1 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the title compound. [M+H]+460 Rt 2.67. LC/MS. r.t. 2.67 min; m/z 460.111H NMR: (400 MHz, DMSO-d6) δ 13.51 (s, 1H), 10.20 (s, 1H), 8.50 (d, J = 8.0 Hz, 1 H), 8.41 (s, 1 H), 7.66 - 7.56 (m, 3H), 3.95 - 3.89 (m, 1 H), 3.61 (d, J = 12.0 Hz, 2H), 2.92 (S1 3H), 2.84 (t, J = 12.0 Hz, 2H), 1.89 - 1.86 (m, 2H), 1.79 - 1.70 (m, 2H)
	With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;	1.F To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride (1 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (2.2 mmol) followed by the methanesulphonyl chloride (1 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the title compound. [M+ H]+ 460 Rt 2.67. LC/MS. r.t. 2.67 min; m/z 460.111H NMR: (400 MHz, DMSOd6) δ 13.51 (s, 1 H), 10.20 (s, 1H), 8.50 (d, J = 8.0 Hz, 1 H), 8.41 (s, 1H), 7.66 - 7.56 (m, 3H), 3.95 - 3.89 (m, 1H), 3.61 (d, J = 12.0 Hz, 2H), 2.92 (s, 3H), 2.84 (t, J = 12.0 Hz, 2H), 1.89 - 1.86 (m, 2H), 1.79 - 1.70 (m, 2H)
	With N-ethyl-N,N-diisopropylamine In acetonitrile	1.F 1F. 1F. 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride (1 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (2.2 mmol) followed by the methanesulphonyl chloride (1 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the title compound. [M+H]+ 460 Rt 2.67. LC/MS. r.t. 2.67 min; m/z 460.11 1H NMR: (400 MHz, DMSO-d6) δ 13.51 (s, 1H), 10.20 (s, 1H), 8.50 (d, J=8.0 Hz, 1H), 8.41 (s, 1H), 7.66-7.56 (m, 3H), 3.95-3.89 (m, 1H), 3.61 (d, J=12.0 Hz, 2H), 2.92 (s, 3H), 2.84 (t, J=12.0 Hz, 2H), 1.89-1.86 (m, 2H), 1.79-1.70 (m, 2H)

With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;

7.F To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride (1 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (2.2 mmol) followed by the methanesulphonyl chloride (1 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the title compound. [M+H]+460 Rt 2.67. LC/MS. r.t. 2.67 min; m/z 460.111H NMR: (400 MHz, DMSOd6) δ 13.51 (s, 1 H), 10.20 (s, 1 H), 8.50 (d, J = 8.0 Hz, 1 H), 8.41 (s, 1 H), 7.66 - 7.56 (m, 3H)1 3.95 - 3.89 (m, 1H), 3.61 (d, J = 12.0 Hz, 2H), 2.92 (s, 3H), 2.84 (t, J = 12.0 Hz, 2H), 1.89 - 1.86 (m, 2H), 1.79 - 1.70 (m, 2H)

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2008/1101, 2008, A2 Location in patent: Page/Page column 360-361
[2]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2007/129062, 2007, A1 Location in patent: Page/Page column 196-197
[3]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - US2010/21420, 2010, A1
[4]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2008/9954, 2008, A1 Location in patent: Page/Page column 102-103

2
[ 902135-91-5 ]
[ 75-36-5 ]
[ 902151-71-7 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;	29 General Procedure G; Sulphonylation or Acylation of Piperidines EPO To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride (Preparation X) (1 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (2.2 mmol) followed by the appropriate sulphonyl or acid chloride (1 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the desired sulphonamide or amide derivative.

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77414, 2006, A1 Location in patent: Page/Page column 157-158; 175

3
AT₇₅₁₉ [ No CAS ]
[ 51517-01-2 ]
C₁₉H₂₃Cl₂N₅O₅S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20℃; for 16h;	To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride (Preparation X) (2 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (4.2 mmol) followed by the appropriate sulphonyl chloride (approximately 2 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the desired sulphonamide derivative.

Reference： [1]Patent: WO2006/77414,2006,A1 .Location in patent: Page/Page column 183

4
[ 902135-91-5 ]
[ 407-25-0 ]
[ 1347879-84-8 ]

Yield	Reaction Conditions	Operation in experiment
30%	With triethylamine In tetrahydrofuran at 20℃; for 15h;	8 EXAMPLE 8; Synthesis of 4-(2.6-dichloro-benzoylamino)-1-H-pyrazole-3-carboxylic acid [1- (2,2,2-trifluoro-acetyl)-piperidm-4yl1-amide EPO To a suspension of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride (PreparationX) (0.3 g, 0.71 mmol), triethylamine (0.213 ml, 1.42mmol) in THF (5 ml) was added trifluoroacetic anhydride (0.1 ml, 0.71 mmol ). The reaction mixture was stirred at room temperature for 15 hours. The crude product was partitioned between EtOAc and water, the organic phase was dried over MgSO4, filtered and evaporated in vacuo. The residue was triturated with diethyl ether to afford the title compound as pale yellow solid (0.1 g, 30%) (LC/MS: Rt 2.96, [M+H]+478).

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77414, 2006, A1 Location in patent: Page/Page column 169-170

5
[ 902135-91-5 ]
[ 1622-32-8 ]
[ 902152-89-0 ]

Yield	Reaction Conditions	Operation in experiment
22%	With triethylamine In N,N-dimethyl-formamide at 20℃; for 1.5h;	6.6A EXAMPLE 6; Preparation of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid \|"l-(2- dimethylamino-ethanesulphonyl)-piperidin-4-yl]-amide6A. 4-r2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1- ethenesulphonyl-piperidin-4-ylVamide EPO To a solution of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidine-4-ylamide hydrochloride (Preparation X) (2 g, 4.78 mmoles) in DMF (20 ml) was added triethylamine (2.7 ml, 19.12 mmoles) and then 2-chloro-l- ethanesulphonyl chloride (0.5 ml, 4.78 mmoles). The reaction mixture was stirred at ambient temperature for 30 minutes. Further 2-chloro-l-ethanesulphonyl chloride (175 μl, 1.67 mmoles) was added and the reaction mixture was stirred at ambient temperature for a further hour. The reaction mixture was diluted with EtOAc and washed with water (x3) and then brine. The organic portion was dried (MgSO4), filtered and evaporated in vacuo. The residue was purified by flash chromatography (Biotage SP4, 4OS, flow rate 40 ml/min, gradient 1 : 1 EtO Ac/Petrol to EtOAc) to give 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1- ethenesulphonyl-piperidin-4-yl)-amide as a white solid (500 mg, 22%). (LC/MS: Rt 2.94, [M+H]+ 472.15).

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77414, 2006, A1 Location in patent: Page/Page column 167-168

6
AT₇₅₁₉ [ No CAS ]
[ 4837-38-1 ]
C₂₂H₂₇Cl₂N₅O₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;	73 To a mixture of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride (Preparation X) (2 mmol) in acetonitrile (10 ml) was added diisopropylethylamine (4.2 mmol) followed by the appropriate sulphonyl chloride(approximately 2 mmol). The mixture was stirred at ambient temperature for 16 hours then reduced in vacuo. The residue was partitioned between ethyl acetate and water, the layers separated and the organic portion washed with brine, dried (MgSO4) and reduced in vacuo to give the desired sulphonamide derivative.

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77414, 2006, A1 Location in patent: Page/Page column 159; 184

7
[ 844443-90-9 ]
[ 902135-91-5 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; methanol In ethyl acetate at 20℃;	X.2 Step 2. 4-C2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochlorideA solution of 4- { [4-(2,6-dichloro-benzoylamino)- 1 H-pyrazole-3-carbonyl] -amino } - piperidine- 1 -carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 niL) and EtOAc (50ml) was treated with sat. HCl-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the EPO reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro-benzoylamino)~lH-pyrazole-3- carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; ethyl acetate at 20℃;	11.E 1 IE. 4-(2,6-dichloro-benzoylamino*)-lH-pyrazole-3-carboxylic acid piperidin-4- ylamideA solution of 4- { [4-(2,6-dichloro-benzoylamino)- 1 H-pyrazole-3 -carbonyl] -amino } - piperidine- 1 -carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 rnL) and EtOAc (50ml) was treated with sat. HCl-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro-benzoylamino)-lH-pyrazole-3- carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; ethyl acetate at 20℃;	237.237C A solution of 4-[4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carbonyl]-amino}-piperidine-1 -carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 mL) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro-benzoylamino)-1H- pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).

	With hydrogenchloride In methanol; ethyl acetate at 20℃;	237.237C A solution of 4-[4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carbonyl]-amino}-piperidine-1 -carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 mL) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro-benzoylamino)-1H- pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; ethyl acetate at 20℃;	2.C; 1.1E A solution of 4-[4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carbonyI]-amino}-piperidine- 1-carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 ml_) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 ml_) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro- benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; water; ethyl acetate at 20℃;	1.E A solution of 4-[4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carbonyl]-amino}-piperidine- 1-carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 mL) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro- benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: R4 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; ethyl acetate at 20℃;	2.2C 4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide A solution of 4-[4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carbonyl]-amino}-piperidine- 1-carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 ml.) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro- benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: R1 5.89, [M+H]+ 382 / 384).
	With hydrogenchloride In methanol; ethyl acetate at 20℃;	2.C; 7.E A solution of 4-[4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carbonyl]-amino}-piperidine- 1-carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 ml_) and EtOAc (50ml) was treated with sat. HCI-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3g of 4-(2,6-dichloro- benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382 / 384).

Reference： [1]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77414, 2006, A1 Location in patent: Page/Page column 144-145
[2]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77426, 2006, A2 Location in patent: Page/Page column 98
[3]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77425, 2006, A1 Location in patent: Page/Page column 206
[4]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77424, 2006, A1 Location in patent: Page/Page column 186 Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2006/77428, 2006, A1 Location in patent: Page/Page column 186
[5]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2008/1101, 2008, A2 Location in patent: Page/Page column 331; 360
[6]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2007/129062, 2007, A1 Location in patent: Page/Page column 196
[7]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2008/7113, 2008, A2 Location in patent: Page/Page column 157
[8]Current Patent Assignee: OTSUKA HOLDINGS CO LTD - WO2008/9954, 2008, A1 Location in patent: Page/Page column 82; 102

8
AT₇₅₁₉ [ No CAS ]
[ 844442-38-2 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;Strata-NH2;Product distribution / selectivity;	The hydrochloride salt was taken up in MeOH and passed through a Strata-NH2 column, eluting with MeOH. The product-containing fractions were reduced in vacuo to give 4-(2,6-dichlorobenzoylamino)-lH-pyrazole-3-carboxylic acid piperidin-4-ylamide free base. To a mixture of the free base in MeOH was added MsOH (70% in water) and the mixture was stirred at ambient for 14 hours, then reduced in vacuo, azeotroping with toluene (x 3). The residue was purified by trituration with acetone and dried in the vacuum oven to give the mesylate salt.
	With sodium hydrogencarbonate; In water; at 20.0℃; for 1.0h;Product distribution / selectivity;	EXAMPLE 8Preparation of 4-f2.6-dichloro-benzoylamino)-lH-pyrazole-3-carboxylic acid piperidin-4-ylamide acetic acid salt EPO <DP n="96"/>To a solution of 4-(2,6-dichloro-benzoylamino)-lH-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride salt (20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4- (2,6-dichloro-benzoylamino)-lH-pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-J6) delta 10.20 (s, IH), 8.30 (s, IH), 8.25 (d, IH), 7.60 - 7.50 (m, 3H), 3.70 (m, IH), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H).
	With sodium hydrogencarbonate; In water; at 20.0℃; for 1.0h;	To a solution of 4-(2,6-dichloro-benzoyIamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride salt (Example (237C) 20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro- benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-d6) D 10.20 (s, 1 H), 8.30 (s, 1 H), 8.25 (d, 1 H), 7.60 - 7.50 (m, 3H), 3.70 (m, 1 H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H). To a solution of 4-(2,6-dichIoro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride salt (20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro-benzoylamino)-1H- pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-d6) delta 10.20 (s, 1H), 8.30 (s, 1H), 8.25 (d, 1H), 7.60-7.50 (m, 3H), 3.70 (m, 1H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H).

	With sodium hydrogencarbonate; In water; at 20.0℃; for 1.0h;	To a solution of 4-(2,6-dichloro-benzoyIamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride salt (Example (237C) 20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro- benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-d6) D 10.20 (s, 1 H), 8.30 (s, 1 H), 8.25 (d, 1 H), 7.60 - 7.50 (m, 3H), 3.70 (m, 1 H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H). To a solution of 4-(2,6-dichIoro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide hydrochloride salt (20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro-benzoylamino)-1H- pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-d6) delta 10.20 (s, 1H), 8.30 (s, 1H), 8.25 (d, 1H), 7.60-7.50 (m, 3H), 3.70 (m, 1H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H).
	With sodium hydrogencarbonate; In water; for 1.0h;	To a solution of 4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride salt (Example 2C) 20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro-benzoylamino)-1H- pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-d6) delta 10.20 (s, 1 H), 8.30 (s, 1 H), 8.25 (d, 1 H), 7.60 - 7.50 (m, 3H), 3.70 (m, 1 H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H).
	With sodium hydrogencarbonate; In water; at 20.0℃; for 1.0h;	To a solution of 4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride salt (Example 2C) 20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro-benzoylamino)-1 H- pyrazole-3-carboxylic acid piperidin-4-ylamide.1H NMR (400 MHz, DMSO-Cf6) delta 10.20 (s, 1H), 8.30 (s, 1H), 8.25 (d, 1 H), 7.60 - 7.50 (m, 3H), 3.70 (m, 1 H), 3.00 (d, 2H), 2.50 (m, 2H), 1.70 (d, 2H), 1.50 (m, 2H).To a stirred suspension of 4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide (10.0 g, 26.2 mmol) in methanol (150 ml) was added glacial acetic acid (15 ml, 262 mmol) at ambient temperature. After 1 h, a clear solution was obtained which was reduced in vacuo azeotroping with toluene (x 2). The residue was then triturated with acetonitrile (2 x 100 ml) and the solid dried in vacuo to give 4-(2,6-dichloro-benzoylamino)- 1 H-pyrazole-3-carboxylic acid piperidin-4-ylamide acetic acid salt (10.3 g) as a white solid.
	With sodium hydrogencarbonate; In water; at 20.0℃; for 1.0h;Product distribution / selectivity;	To a solution of 4-(2,6-dichloro-benzoylamino)-1 H-pyrazole-3-carboxylic acid piperidin-4- ylamide hydrochloride salt (Example 2C) 20.6 g, 50 mmol) in water (500 ml) stirring at ambient temperature was added sodium bicarbonate (4.5 g, 53.5 mmol). The mixture was stirred for 1 hour and the solid formed collected by filtration and dried in vacuo azeotroping with toluene (x 3) to give the corresponding free base of 4-(2,6-dichloro-benzoylamino)-1 H- pyrazole-3-carboxylic acid piperidin-4-ylamide.

Reference： [1]Patent: WO2006/77426,2006,A2 .Location in patent: Page/Page column 93
[2]Patent: WO2006/77426,2006,A2 .Location in patent: Page/Page column 94-95
[3]Patent: WO2006/77425,2006,A1 .Location in patent: Page/Page column 209; 226
[4]Patent: WO2006/77424,2006,A1 .Location in patent: Page/Page column 189; 212
[5]Patent: WO2008/1101,2008,A2 .Location in patent: Page/Page column 331
[6]Patent: WO2008/7113,2008,A2 .Location in patent: Page/Page column 157-158
[7]Patent: WO2008/9954,2008,A1 .Location in patent: Page/Page column 82; 94-95

9
AT₇₅₁₉ [ No CAS ]
[ 1828-66-6 ]
4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid [1-(morpholine-4-sulphonyl)-piperidin-4yl]-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
10%	With triethylamine; In dichloromethane; at 0 - 50℃; for 18h;	EXAMPLE 9 Synthesis of 4-(2,6-dichloro-benzoylaminoVl-H-pyrazole-3-carboxylic acid ["1- Cmorpholine-4-sulphonyl')-piperidin-4vn-amideTo morpholinium chloride (0.5 g, 4 mmol), was added triethylamine (6 ml, 40 mmol) and the mixture was stirred for 15 minutes at room temperature. Chloroform was added (10 ml), the mixture was cooled to -5 0C and chlorosulphonic acid(0.266 ml, 4 mmol) was added dropwise so as to maintain the temperature below 0 0C. The chloroform was evaporated and the mixture was treated with 0.03 mol of NaOH in 16 ml of water. The solution was evaporated to dryness to afford morpholine-4-sodium sulphamate. The crude material was dissolved in 1,2- dichloroethane (5 ml) and POCl3 (0.7ml, 8mmol) was added. The reaction mixture was heated at 80 0C for 18 hours. Petroleum ether and EtOAc were then added to the mixture and solids were removed by filtration. The filtrate was evaporated to dryness to afford morpholine sulphamoyl chloride. The resulting crude material was dissolved in DCM (30 ml), triethylamine (1 ml, 10 mmol) was added followed by the addition of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid EPO <DP n="172"/>piperidin-4-ylamide hydrochloride (Preparation X) (1 g, 4 mmol) at 0 0C. The reaction mixture was stirred at room temperature for 16 hours, then added dioxane (5 ml) and heated at 50 C for 3 hours. The crude product was partitioned between EtOAc and water. The organic phase was dried over MgSO4, filtered and evaporated in vacuo. The residue was purified by by flash chromatography on silica eluting with EtOAc: hexane 1 :2 to 100% EtOAc to afford the title compound as white solid (130 mg, 10% over 3 steps) (LC/MS: Rt 2.80, [M+H]+ 531).

Reference： [1]Patent: WO2006/77414,2006,A1 .Location in patent: Page/Page column 170-171

10
[ 844443-90-9 ]
HCl-EtOAc [ No CAS ]
[ 844442-38-2 ]
AT₇₅₁₉ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; ethyl acetate;	2C. 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid Piperidin-4-ylamide A solution of 4-[4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester (7.9 g) in MeOH (50 mL) and EtOAc (50 ml) was treated with sat. HCl-EtOAc (40 mL) then stirred at r.t. overnight. The product did not crystallise due to the presence of methanol, and therefore the reaction mixture was evaporated and the residue triturated with EtOAc. The resulting off white solid was collected by filtration, washed with EtOAc and sucked dry on the sinter to give 6.3 g of 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide as the hydrochloride salt. (LC/MS: Rt 5.89, [M+H]+ 382/384).

Reference： [1]Patent: US2010/21420,2010,A1

Same Skeleton Products

Related Products

Historical Records

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 902135-91-5 ] {[proInfo.proName]}

Quality Control of [ 902135-91-5 ]

Related Doc. of [ 902135-91-5 ]

Product Details of [ 902135-91-5 ]

Calculated chemistry of [ 902135-91-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 902135-91-5 ]

Application In Synthesis of [ 902135-91-5 ]

[ 902135-91-5 ] Synthesis Path-Downstream 1~10

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry