[ CAS No. 2164-61-6 ] {[proInfo.proName]}

Name: 2164-61-6|Pyridazine-3-carboxylic acid|97%
Brand: Ambeed
SKU: A339951
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Quality Control of [ 2164-61-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 2164-61-6 ]

Product Details of [ 2164-61-6 ]

CAS No. :	2164-61-6	MDL No. :	MFCD01646333
Formula :	C₅H₄N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RUUOPSRRIKJHNH-UHFFFAOYSA-N
M.W :	124.10	Pubchem ID :	269369
Synonyms :

Calculated chemistry of [ 2164-61-6 ]

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	28.99
TPSA :	63.08 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	-0.08
Log Po/w (WLOGP) :	0.17
Log Po/w (MLOGP) :	-0.44
Log Po/w (SILICOS-IT) :	0.32
Consensus Log Po/w :	0.1

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.99
Solubility :	12.8 mg/ml ; 0.103 mol/l
Class :	Very soluble
Log S (Ali) :	-0.79
Solubility :	20.0 mg/ml ; 0.161 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.98
Solubility :	12.9 mg/ml ; 0.104 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.31

Safety of [ 2164-61-6 ]

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

Application In Synthesis of [ 2164-61-6 ]

* 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.

Upstream synthesis route of [ 2164-61-6 ]
Downstream synthetic route of [ 2164-61-6 ]

[ 2164-61-6 ] Synthesis Path-Upstream 1~8

1
[ 2164-61-6 ]
[ 37444-46-5 ]

Reference： [1] Patent: WO2018/89786, 2018, A1,

2
[ 37444-46-5 ]
[ 2164-61-6 ]

Reference： [1] Journal of the American Chemical Society, 1953, vol. 75, p. 4086

3
[ 5096-73-1 ]
[ 2164-61-6 ]

Reference： [1] Journal of the American Chemical Society, 1953, vol. 75, p. 4086

4
[ 1121-79-5 ]
[ 2164-61-6 ]

Reference： [1] Journal of the American Chemical Society, 1953, vol. 75, p. 4086

5
[ 106584-50-3 ]
[ 2164-61-6 ]

Reference： [1] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1543 - 1546

6
[ 1632-76-4 ]
[ 2164-61-6 ]

Reference： [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 48, p. 15067 - 15071[2] Angew. Chem., 2016, vol. 128, p. 15291 - 15295,4

7
[ 77421-41-1 ]
[ 2164-61-6 ]
[ 107-97-1 ]
[ 56-40-6 ]

Reference： [1] Journal of the American Chemical Society, 1981, vol. 103, # 5, p. 1241 - 1243

8
[ 67-56-1 ]
[ 2164-61-6 ]
[ 34253-02-6 ]

Reference： [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 48, p. 15067 - 15071[2] Angew. Chem., 2016, vol. 128, p. 15291 - 15295,4
[3] New Journal of Chemistry, 2016, vol. 40, # 3, p. 2910 - 2919

[ 2164-61-6 ] Synthesis Path-Downstream 1~87

1
[ 2164-61-6 ]
[ 1450-14-2 ]
[ 120809-58-7 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 3281 - 3288

2
[ 106584-50-3 ]
[ 2164-61-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1985,vol. 22,p. 1543 - 1546

3
[ 77421-41-1 ]
[ 2164-61-6 ]
[ 107-97-1 ]
[ 56-40-6 ]

Reference： [1]Journal of the American Chemical Society,1981,vol. 103,p. 1241 - 1243

4
[ 186581-53-3 ]
[ 2164-61-6 ]
3-diazoacetylpyridazine [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 6210 - 6215

5
[ 2164-61-6 ]
C₆H₄N₂O [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 6210 - 6215

6
[ 2164-61-6 ]
C₆H₄N₂O [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 6210 - 6215

7
[ 2164-61-6 ]
[ 120809-65-6 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 3281 - 3288

8
[ 2164-61-6 ]
[ 120809-67-8 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 3281 - 3288

9
[ 2164-61-6 ]
[ 120809-66-7 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 3281 - 3288

10
[ 1121-79-5 ]
[ 2164-61-6 ]

Reference： [1]Journal of the American Chemical Society,1953,vol. 75,p. 4086

11
[ 2164-61-6 ]
4-(2-cyano-phenoxy)-5-(4-methanesulfonyl-phenoxy)-benzene-1,2-diamine [ No CAS ]
5-(2-cyano-phenoxy)-2-pyridazin-3-yl-6-(4-methanesulfonyl-phenoxy)-1H-benzimidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		3.3 mg of <strong>[2164-61-6]pyridazine-3-carboxylic acid</strong>, 15 mg of 1-hydroxybenzotriazole and 15 mg of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide monohydride were added in order to an N-methylpyrrolidone (0.3 ml) solution of 15 mg of 4-(2-cyano-phenoxy)-5-(4-methanesulfonyl-phenoxy)-benzene-1,2-diamine obtained in Example 17, and the reaction liquid was stirred overnight at room temperature. The reaction liquid was diluted with ethyl acetate, and washed with saturated sodium bicarbonate solution, and the solvent was evaporated away under reduced pressure. The resulting residue was dissolved in 0.2 ml of N-methylpyrrolidone, and 5 mg of ytterbium trifluoromethanesulfonate was added to it, and the reaction liquid was stirred overnight at 140C. The reaction mixture was purified through reversed-phase middle-pressure liquid chromatography [ODS-AS-360-CC (by YMC), mobile phase: water-acetonitrile-0.1 % trifluoroacetic acid]. The solvent of the resulting fraction was evaporated away under reduced pressure to obtain the entitled compound as a brown solid. 1H-NMR(CD3OD)delta: 3.10(3H,s), 6.92(1H,d,J=7.6Hz), 6.99(2H,d,J=8.6Hz), 7.20(1H,t,J=7.6Hz), 7.58(1H,t,J=7.6Hz), 7.64(1H,d,J=7.6Hz), 7.70-7.80(2H,m), 7.87(2H,d,J=8.6Hz), 7.96-8.02(1H,m), 8.58(1H,brs), 9.36(1H,brs) ESI-MS(m/e):484[M+H]

Reference： [1]Patent: EP1702919,2006,A1 .Location in patent: Page/Page column 58-59

12
[ 2164-61-6 ]
[ 5970-45-6 ]
zinc(II)-3-pyridazinecarboxylate tetrahydrate [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1989,vol. 166,p. 233 - 238

13
[ 2164-61-6 ]
[ 71-48-7 ]
cobalt(II)-3-pyridazinecarboxylate tetrahydrate [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1989,vol. 166,p. 233 - 238

14
[ 2164-61-6 ]
[ 142-71-2 ]
copper(II)-3-pyridazinecarboxylate [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1989,vol. 166,p. 233 - 238

15
[ 2164-61-6 ]
manganese(II)carbonate [ No CAS ]
manganese(II)-3-pyridazinecarboxylate tetrahydrate [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1989,vol. 166,p. 233 - 238

16
[ 2164-61-6 ]
[ 719261-06-0 ]
nickel(II)-3-pyridazinecarboxylate tetrahydrate [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1989,vol. 166,p. 233 - 238

17
[ 2164-61-6 ]
[ 214360-73-3 ]
[ 1027712-17-9 ]

Yield	Reaction Conditions	Operation in experiment
		DIPEA (1.92 ml.) was added to a suspension of <strong>[2164-61-6]3-pyridazinecarboxylic acid</strong> (500 mg) and HATU (1.53 g) in DMF (10 ml.) at room temperature under nitrogen. After 10 min [4-(4, 4,5,5- tetramethyl-1 ,3,2-dioxaborolan-2-yl)phenyl]amine (802 mg) was added and the reaction was heated to 5O0C for 4 h. The reaction was cooled evaporated in vacuo and partitioned between DCM (20 ml.) and sodium bicarbonate solution (10 ml_). The DCM was washed with sodium bicarbonate, dried by passing through a hydrophobic frit and evaporated in vacuo. The crude material was purified using a 120 g silica ISCO cartridge eluting with a gradient of 0-100% EtOAc in cyclohexane to give the title compound. MS calcd for (C17H20BN3O3 + H)+ : 326 MS found (electrospray) : (M+H)+ = 326

Reference： [1]Patent: WO2008/59042,2008,A1 .Location in patent: Page/Page column 94-95

18
[ 2164-61-6 ]
methyl 5-(4-aminophenyl)-3-{(cyclopropylmethyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylate [ No CAS ]
methyl 3-{(cyclopropylmethyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-5-{4-[(3-pyridazinylcarbonyl)amino]phenyl}-2-thiophenecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		3-Pyridazinecarboxylic acid (48 mg) was dissolved in a solution of DMF (3 ml_), DIPEA (182 mul_) and HATU (201 mg), the reaction was stirred at room temperature for 15 mins. Intermediate 64 (150 mg) in DMF (1 ml.) was added and the mixture was stirred at 5O0C under nitrogen for 22 h. The reaction mixture was evaporated in vacuo and was partitioned between DCM and saturated sodium bicarbonate solution. The organic phase was collected and dried by passing through a hydrophobic frit and evaporated in vacuo. The crude material was purified using a 12 g silica ISCO cartridge eluting with a gradient of 5 - 100% EtOAc in cyclohexane to give the title compound. MS calcd for (C29H32N4O4S + H)+ : 533 MS found (electrospray) : (M+H)+ = 533

Reference： [1]Patent: WO2008/59042,2008,A1 .Location in patent: Page/Page column 70-71

19
[ 2164-61-6 ]
methyl 5-(4-aminophenyl)-3-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-2-thiophenecarboxylate [ No CAS ]
methyl 3-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-5-{4-[(3-pyridazinylcarbonyl)amino]phenyl}-2-thiophenecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of <strong>[2164-61-6]3-pyridazinecarboxylic acid</strong> (66 mg), HATU (220 mg) and DIPEA (248 mg) were dissolved in DMF (5 ml.) and the reaction was stirred at room temperature for 1 h. Methyl 5- (4-aminophenyl)-3-[[(frans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-2- thiophenecarboxylate (200 mg, a synthesis of which is described as Intermediate 9) was added and the reaction was stirred at room temperature for 18 h, then at 5O0C over a weekend. HATU (220 mg), DIPEA (248 mg) and <strong>[2164-61-6]3-pyridazinecarboxylic acid</strong> (66 mg) were added and the reaction was stirred at 5O0C for 4 h. The reaction was evaporated in vacuo and partitioned between DCM and sodium bicarbonate solution. The organic phases were separated, dried using a hydrophobic frit and evaporated in vacuo. The crude material was purified by ISCO Companion silica chromatography, eluting with a gradient 5-100% EtOAc in cyclohexane to give the title compound. MS calcd for (C28H32N4O4S + H)+: 521 MS found (electrospray): (M+H)+ = 521

Reference： [1]Patent: WO2008/59042,2008,A1 .Location in patent: Page/Page column 51

20
[ 2164-61-6 ]
[ 1243634-24-3 ]
C₂₅H₄₁N₅O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 4483 - 4486

21
[ 2164-61-6 ]
[ 1243634-25-4 ]
C₂₅H₄₁N₅O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 4483 - 4486

22
[ 2164-61-6 ]
[ 1146084-66-3 ]
[ 1341129-73-4 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 7713 - 7719

23
[ 2164-61-6 ]
[ 1372606-96-6 ]
[ 1372605-69-0 ]

Yield	Reaction Conditions	Operation in experiment
83%	With O-(benzotriazol-1-yl )-N,N,N' ,N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 1h;	g) (S)-N-(5-(4-chlorophenyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-yl)pyridazine-3-carboxamide <strong>[2164-61-6]Pyridazine-3-carboxylic acid</strong> (CAN 2164-61-6; 43.1 mg, 347 mumol) was suspended in DMF (1.0 mL). TBTU (112 mg, 347 mumol), ethyldiisopropylamine (102 mg, 131 mul, 789 mumol,) and 5-(4-chloro-phenyl)-6-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-pyridin-3-ylamine (0.100 g, 316 mumol) were added and the reaction mixture was stirred at room temperature for 1 h. The rection mixture was extracted with ethyl acetate and 1M citric acid solution; the organic phase was dried with MgSO4 and concentrated in vacuo. The crude material was purified by flash chromatography (silica gel, 10 g, 10% to 50% ethyl acetate in heptane) to give 0.11 g (83%) of the title compound as white solid; MS (EI) 423.1 (M+H)+.
83%	With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 1h;	g) (S)-N-(5-(4-chlorophenyl)-6-(l,l, l-trifluoropropan-2-yloxy)pyridin-3-yl)pyridazine-3- carboxamide<strong>[2164-61-6]Pyridazine-3-carboxylic acid</strong> (CAN 2164-61-6; 43.1 mg, 347 muiotaetaomicron) was suspended in DMF (1.0 mL) . TBTU (112 mg, 347 muiotaetaomicron), ethyldiisopropylamine (102 mg, 131 mu, 789 muiotaetaomicron,) and 5-(4-chloro-phenyl)-6-((S)-2,2,2-trifluoro-l-methyl-ethoxy)-pyridin-3-ylamine (0.100 g, 316 muiotaetaomicron) were added and the reaction mixture was stirred at room temperature for 1 h. The rection mixture was extracted with ethyl acetate and 1M citric acid solution; the organic phase was dried with MgS04 and concentrated in vacuo. The crude material was purified by flashchromatography (silica gel, lOg, 10% to 50% ethyl acetate in heptane) to give 0.11 g (83%) of the title compound as white solid; MS (EI) 423.1 (M+H)+.

Reference： [1]Patent: US2012/94993,2012,A1 .Location in patent: Page/Page column 29
[2]Patent: WO2012/49190,2012,A1 .Location in patent: Page/Page column 65

24
[ 2164-61-6 ]
[ 1411982-56-3 ]
[ 1411981-55-9 ]

Yield	Reaction Conditions	Operation in experiment
	With 4-methyl-morpholine; HATU; In N,N-dimethyl-formamide; at 23℃; for 16h;	Pyridazin-3-yl(7-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanoneTo a suspension of 7-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride (50 mgs, 0.16 mmol), <strong>[2164-61-6]pyridazine-3-carboxylic acid</strong> (30 mgs, 0.24 mmol), HATU (91 mgs, 0.24 mmol), in DMF (1.0 mL) was added NMM (0.05 mL, 0.48 mmol) and the resulting solution was stirred at 23 C. for 16 h. The reaction mixture was then diluted with water/acetonitrile (10:1) and the solid formed was then washed with water, diethylether and dried to give the title compound. MS found for C21H16F3N3O as (M+H)+ 384.1 1H NMR (400 MHz, dmso-d6): mixture of rotomers (1.5:1): major rotomer: delta 8.93 (m, 2H), 7.96-7.91 (m, 3H); 7.91-7.55 (m, 6H); 7.32 (m, 1H); 4.90 (s, 2H); 3.44-3.41 (m, 2H); 2.86-2.848 (m, 2H).

Reference： [1]Patent: US2012/289493,2012,A1 .Location in patent: Page/Page column 116

25
[ 2164-61-6 ]
[ 1310795-45-9 ]
[ 1428241-97-7 ]

Yield	Reaction Conditions	Operation in experiment
26%		Step A: N-((1S,3S,4R)-3-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-4-methylcyclopentyl)pyridazine-3-carboxamide <strong>[2164-61-6]Pyridazine-3-carboxylic acid</strong> (0.122 g, 0.979 mmol, Matrix) was dissolved in DMF (3 mL). HATU (0.447 g, 1.17 mmol) was added and the mixture stirred at ambient temperature for about 1 min. TEA (0.6 mL, 4.30 mmol) and (1S,3S,4R)-3-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-4-methylcyclopentylamine (0.250 g, 0.98 mmol, Example No.1, Step D) were added and the resulting mixture was stirred at ambient temperature for about 1 h. The mixture was diluted with DCM (10 mL) and washed with saturated aqueous NaHCO3 (5 mL). The organic layer was collected, dried over MeSO4, filtered and evaporated. The resulting solid was sequentially triturated with Et2O and MeOH, filtered and the resulting solid dried to give N-((1S,3S,4S)-3-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-4-methylcyclopentyl)pyridazine-3-carboxamide (0.092 g, 26%); LC/MS (Table 1, Method a) Rt=1.58 min; MS m/z: 362 (M+H)+. Jak3 IC50=C

Reference： [1]Patent: US2013/72470,2013,A1 .Location in patent: Paragraph 0379-0381

26
[ 2164-61-6 ]
(S)-allyl 2-(allyloxy)-4-(2-(allyloxy)-4-(4-(2-(4-aminobenzamido)-3-cyanopropanamido)benzamido)-3-methoxybenzamido)-3-methoxybenzoate [ No CAS ]
C₄₈H₄₄N₈O₁₁ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%		Compound 18 BTC (1 .15 eq, 0.100 mmol, 30 mg) was dissolved in dry THF (5 ml) under an atmosphere of argon<strong>[2164-61-6]Pyridazine-3-carboxylic acid</strong> (3.5 eq, 0.305 mmol, 33 mg) was added. syn-Collidine (8 eq, 0.700 mmol, 0.092 ml) was slowly added via syringe and the white suspension was stirred at room temperature for 10 min. The amine (1 eq, 0.087 mmol, 70 mg) and DIPEA (10 eq, 0.872 mmol, 0.150 ml) were added via syringe. The reaction mixture was stirred for 12 h at room temperature and quenched by the addition of water. After removing the organic solvent under reduced pressure the aqueous phase was extracted with EtOAc (3 x 50 ml). The organic phase was washed with saturated NaHC03 solution (2 x 50 ml), aqueous HCI solution (5 %, 2 x 50 ml), water (1 x 50 ml) and brine (1 x 50 ml). After drying over Na2S04 and filtration, the solvent was removed under reduced pressure. Column chromatography (CHCI3:MeOH; 1 .5 % MeOH) yielded the product as an orange oil (58 mg, 73 %). The oil (1 eq, 0.058 mmol, 56 mg) and phenylsilane (8 eq, 0.466 mmol, 0.057 ml) were dissolved in dry THF under an atmosphere of argon and exclusion of light. Pd[P(Ph)3]4 (0.5 eq, 0.029 mmol, 34 mg) was added and the mixture was stirred 12 h at room temperature. After adding 3 drops of acetic acid the solvent was removed under reduced pressure. The product was isolated after preparative HPLC purification as a white powder (7 mg, 15 %). H-NMR (DMSO-ds, 400 MHz): delta [ppm] 3.08 (m, 1 H), 3.17 (m, 1 H), 3.77 (s, 3H), 3.91 (s, 3H), 5.00 (m, 1 H), 7.57 (t, J = 9.0 Hz, 1 H), 7.80 (m, 4H), 7.99 (m, 5H), 8.04 (m, 1 H), 8.1 1 (d, J = 8.9 Hz), 8.35 (dd, J = 1 .6 Hz), 9.10 (d, J = 7.0 Hz), 9.49 (dd, Ji = 5.0 Hz, J2 = 1 .5 Hz), 9.71 (s, 1 H), 10.59 (s, 1 H), 1 1 .18 (s, 1 H), 1 1 .34 (s, 1 H), 1 1 .54 (s, 1 H). HR-MS: [M-H]- calculated: 787.2106 [M-H]- found: 787.21 1 1

Reference： [1]Patent: WO2014/125075,2014,A1 .Location in patent: Page/Page column 358

27
[ 2164-61-6 ]
(S)-allyl 2-(allyloxy)-4-(2-(allyloxy)-4-(4-(2-(4-aminobenzamido)-3-cyanopropanamido)benzamido)-3-methoxybenzamido)-3-methoxybenzoate [ No CAS ]
C₃₉H₃₂N₈O₁₁ [ No CAS ]

Reference： [1]Patent: WO2014/125075,2014,A1

28
[ 2164-61-6 ]
[ 19348-53-9 ]
C₁₉H₁₁ClN₄O₃ [ No CAS ]

Reference： [1]ACS Chemical Biology,2014,vol. 9,p. 2334 - 2346

29
[ 2164-61-6 ]
[ 1361189-49-2 ]
[ 1361186-41-5 ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 1669 - 1690

30
[ 2164-61-6 ]
5-(2-((1E,3E)-5-((E)-1-(3-aminopropyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)pentanoate [ No CAS ]
C₃₈H₄₄N₅O₃⁽¹⁺⁾ [ No CAS ]

Reference： [1]Chemical Communications,2015,vol. 51,p. 7386 - 7389

31
[ 2164-61-6 ]
3-{4-methyl-5-[(3-{1-[4-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-b]pyrrol-5-yl}propyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridazine hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 1619 - 1636

32
[ 2164-61-6 ]
3-{5-[(3-chloropropyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridazine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 1619 - 1636
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 8549 - 8576

33
[ 2164-61-6 ]
[ 6610-29-3 ]
4-methyl-5-(pyridazin-3-yl)-4H-1,2,4-triazole-3-thiol [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 1619 - 1636
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 8549 - 8576
[3]Journal of Medicinal Chemistry,2019

34
[ 67-56-1 ]
[ 2164-61-6 ]
[ 34253-02-6 ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 15067 - 15071
Angew. Chem.,2016,vol. 128,p. 15291 - 15295,4
[2]New Journal of Chemistry,2016,vol. 40,p. 2910 - 2919

35
[ 2164-61-6 ]
C₁₂H₁₇FN₂O₂*ClH [ No CAS ]
C₁₇H₁₉FN₄O₃ [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2016,vol. 7,p. 802 - 806

36
[ 2164-61-6 ]
(1S,3S/1R,3R)-5-(3-[4-methyl-5-(pyridazin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8549 - 8576

37
[ 2164-61-6 ]
(1R,3S/1S,3R)-5-(3-[4-methyl-5-(pyridazin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 8549 - 8576

38
[ 2164-61-6 ]
tert-butyl 4-(5-(aminomethyl)-6-(2-benzylpyrrolidin-1-yl)pyridazine-3-carbonyl)piperazine-1-carboxylate [ No CAS ]
C₃₁H₃₈N₈O₄ [ No CAS ]

Reference： [1]ACS Combinatorial Science,2016,vol. 18,p. 651 - 654

39
[ 2164-61-6 ]
[ 89463-74-1 ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 15067 - 15071
Angew. Chem.,2016,vol. 128,p. 15291 - 15295,4
[2]Patent: WO2018/97945,2018,A1

40
[ 2164-61-6 ]
4-(4-methylphenyl)-3-(3-pyridazinyl)-5-(2-pyridinyl)-1,2,4-triazole [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 15067 - 15071
Angew. Chem.,2016,vol. 128,p. 15291 - 15295,4

41
[ 2164-61-6 ]
C₄₄H₄₀Fe₂N₁₆⁽⁴⁺⁾*4BF₄^(1-)*2C₂H₃N [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 15067 - 15071
Angew. Chem.,2016,vol. 128,p. 15291 - 15295,4

42
[ 1632-76-4 ]
[ 2164-61-6 ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 15067 - 15071
Angew. Chem.,2016,vol. 128,p. 15291 - 15295,4

43
[ 2164-61-6 ]
[ 108-90-7 ]
[ 15150-84-2 ]