[ CAS No. 85366-66-1 ] {[proInfo.proName]}

Name: 85366-66-1|3-Bromo-4-(trifluoromethoxy)benzaldehyde|95%
Brand: Ambeed
SKU: A252977
Price: 7.0 USD
Availability: InStock
Rating: 96 (40 reviews)

,{[proInfo.pro_purity]}

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

DV 2D 3D

3d Animation Molecule Structure of 85366-66-1

Structure of 85366-66-1 * 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 [ 85366-66-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 85366-66-1 ]

SDS Specification

Alternatived Products of [ 85366-66-1 ]

Product Details of [ 85366-66-1 ]

CAS No. :	85366-66-1	MDL No. :	MFCD08458004
Formula :	C₈H₄BrF₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OCIAOFZMQWTYNX-UHFFFAOYSA-N
M.W :	269.02	Pubchem ID :	13150416
Synonyms :

Calculated chemistry of [ 85366-66-1 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	46.21
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.97
Log Po/w (XLOGP3) :	3.26
Log Po/w (WLOGP) :	4.42
Log Po/w (MLOGP) :	2.3
Log Po/w (SILICOS-IT) :	3.25
Consensus Log Po/w :	3.04

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.68
Solubility :	0.0561 mg/ml ; 0.000209 mol/l
Class :	Soluble
Log S (Ali) :	-3.49
Solubility :	0.0878 mg/ml ; 0.000326 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.83
Solubility :	0.0402 mg/ml ; 0.000149 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.56

Safety of [ 85366-66-1 ]

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 [ 85366-66-1 ]

* 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 [ 85366-66-1 ]
Downstream synthetic route of [ 85366-66-1 ]

[ 85366-66-1 ] Synthesis Path-Upstream 1~2

1
[ 659-28-9 ]
[ 85366-66-1 ]

Yield	Reaction Conditions	Operation in experiment
14 g	With N-Bromosuccinimide; sulfuric acid In dichloromethane; trifluoroacetic acid at 20℃; for 48 h;	To 68 g (0.36 mol) of 4-Trifluoromethoxybenzaldehyde dissolved in a mixture of 100 ml CH₂CI₂, 100 ml TFA and 50 ml cone. H₂S0₄ are added within 7 h 130 g (0.72 mol) N- bromo-succinimide in small portions under stiring at room temperature (r.t.). The reaction mixture is stirred for 2 days at r.t. The reaction mixture is poured on 1 .2 I of an ice/water mixture. The resulting suspension is extracted three times with 500 ml CH₂CI₂ and the combined organic phases are neutralized with 500 ml aqueous sat. NaHC0₃ solution. The organic phase is then dried with Na₂S0₄. After filtration of the drying agent the organic solvent is removed at a rotary evaporator under reduced pressure. After addition of 500 ml of a 1 :1 mixture of n- pentane/ether, the precipitated succinimide is removed by filtration. The organic solvent is removed under reduced pressure and the remaining residue is purified by chromatography on silica gel (250 g, 0.04 - 0.063 mm, Merck) using ethylacetate/n- heptane = 1 /4 as mobile phase. 14 g of a solid are obtained. ¹H-NMR (d₆-DMSO, 600 MHz, δ ppm): 7.77 (d, J = 8.1 Hz, 1 H), 8.05 (dd, J = 8.1 Hz, 1 .7 Hz, 1 H), 8.34 (d, J = 1 .7 Hz, 1 H), 10.01 (br s, 1 H)

Reference： [1] Patent: US2003/144329, 2003, A1,
[2] Patent: US2003/83357, 2003, A1,
[3] Patent: US2003/105333, 2003, A1,
[4] Patent: US6515003, 2003, B1,
[5] Patent: WO2013/92756, 2013, A1, . Location in patent: Page/Page column 52; 53

2
[ 85366-65-0 ]
[ 85366-66-1 ]

Reference： [1] Patent: US4529557, 1985, A,

[ 85366-66-1 ] Synthesis Path-Downstream 1~35

1
[ 659-28-9 ]
[ 85366-66-1 ]

Yield	Reaction Conditions	Operation in experiment
	With N-Bromosuccinimide; sulfuric acid; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;	a. 3-Bromo-4-trifluoromethoxybenzaldehyde. To a solution of 4-trifluoromethoxybenzaldehyde (215.0 g, 1.13 mol) in a mixture of TFA (300 mL), CH2Cl2 (300 mL) and H2SO4 (150 mL) was added at room temperature N-bromosuccinimide (402.0 g, 2.26 mol) in equal portions over seven hours. The reaction mixture was stirred for four days at room temperature, poured into ice-water and extracted with CH2Cl2. The organic layer was washed with water and subsequently treated with saturated NaHCO3 (1.5 L) for two hours. The layers were separated and the organic layer further washed with water and brine, dried over MgSO4, filtered and evaporated. The residue was triturated with hexane and filtered. After evaporation of the solvent, the residue was distilled to give 3-bromo-4-trifluoromethoxybenzaldehyde (190.2 g, 81 C., 1.0 mm/Hg, 62%).
	With N-Bromosuccinimide; sulfuric acid; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;	a. 3-Bromo-4-trifluoromethoxybenzaldehyde. To a solution of 4-trifluoromethoxybenzaldehyde (215 g, 1.13 mol) in a mixture of TFA (300 mL), CH2Cl2 (300 mL) and H2SO4 (150 mL) was added at room temperature N-bromosuccinimide (402 g, 2.26 mol) in equal portion over 7 hours. The reaction mixture was stirred for 4 days at room temperature, poured into ice-water and extracted with CH2Cl2 The organic layer was washed with water then treated with saturated NaHCO3 (1.5L) for 2 hrs. The layers were separated and the organic layer further washed with water and brine, dried over MgSO4, filtered and evaporated. The residue was triturated with hexane and filtered. After evaporation of the solvent, the residue was distilled to give 3-bromo-4-trifluoromethoxybenzaldehyde (190.2 g, 81 C., 1.0 mm/Hg, 62%).
	With N-Bromosuccinimide; sulfuric acid; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;	c) 3-Bromo-4-trifluoromethoxybenzaldehyde. To a solution of 4-trifluoromethoxybenzaldehyde (215 g, 1.13 mol) in a mixture of TFA (300 mL), CH2Cl2 (300 mL) and H2SO4 (150 mL) was added at room temperature N-bromosuccinimide (402 g, 2.26 mol) in equal portion over 7 hours. The reaction mixture was stirred for 4 days at room temperature, poured into ice-water and extracted with CH2Cl2 The organic layer was washed with water then treated with saturated NaHCO3 (1.5 L) for 2 hrs. The layers were separated and the organic layer further washed with water and brine, dried over MgSO4, filtered and evaporated. The residue was triturated with hexane and filtered. After evaporation of the solvent, the residue was distilled to give 3-bromo-4-trifluoromethoxybenzaldehyde (190.2 g, 81 C., 1.0 mm/Hg, 62%).

	With N-Bromosuccinimide; sulfuric acid; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;	a. 3-Bromo-4-trifluoromethoxybenzaldehyde To a solution of 4-trifluoromethoxybenzaldehyde (215 g, 1.13 mol) in a mixture of TFA (300 mL), CH2Cl2 (300 mL) and H2SO4 (150 mL) was added at room temperature N-bromosuccinimide (402 g, 2.26 mol) in equal portion over 7 hours. The reaction mixture was stirred for 4 days at room temperature, poured into ice-water and extracted with CH2Cl2. The organic layer was washed with water then treated with saturated NaHCO3 (1.5 L) for 2 hrs. The layers were separated and the organic layer further washed with water and brine, dried over MgSO4, filtered and evaporated. The residue was triturated with hexane and filtered. After evaporation of the solvent, the residue was distilled to give 3-bromo-4-trifluoromethoxybenzaldehyde (190.2 g, 81 C., 1.0 mm/Hg, 62%).
14 g	With N-Bromosuccinimide; sulfuric acid; In dichloromethane; trifluoroacetic acid; at 20℃; for 48h;	To 68 g (0.36 mol) of 4-Trifluoromethoxybenzaldehyde dissolved in a mixture of 100 ml CH2CI2, 100 ml TFA and 50 ml cone. H2S04 are added within 7 h 130 g (0.72 mol) N- bromo-succinimide in small portions under stiring at room temperature (r.t.). The reaction mixture is stirred for 2 days at r.t. The reaction mixture is poured on 1 .2 I of an ice/water mixture. The resulting suspension is extracted three times with 500 ml CH2CI2 and the combined organic phases are neutralized with 500 ml aqueous sat. NaHC03 solution. The organic phase is then dried with Na2S04. After filtration of the drying agent the organic solvent is removed at a rotary evaporator under reduced pressure. After addition of 500 ml of a 1 :1 mixture of n- pentane/ether, the precipitated succinimide is removed by filtration. The organic solvent is removed under reduced pressure and the remaining residue is purified by chromatography on silica gel (250 g, 0.04 - 0.063 mm, Merck) using ethylacetate/n- heptane = 1 /4 as mobile phase. 14 g of a solid are obtained. 1H-NMR (d6-DMSO, 600 MHz, delta ppm): 7.77 (d, J = 8.1 Hz, 1 H), 8.05 (dd, J = 8.1 Hz, 1 .7 Hz, 1 H), 8.34 (d, J = 1 .7 Hz, 1 H), 10.01 (br s, 1 H)

Reference： [1]Patent: US2003/144329,2003,A1
[2]Patent: US2003/83357,2003,A1
[3]Patent: US2003/105333,2003,A1
[4]Patent: US6515003,2003,B1
[5]Patent: WO2013/92756,2013,A1 .Location in patent: Page/Page column 52; 53

2
[ 85366-66-1 ]
[ 169126-64-1 ]
[ 532440-14-5 ]

Yield	Reaction Conditions	Operation in experiment
76%	With potassium carbonate;tetrakis(triphenylphosphine)palladium (0); In ethanol; water; toluene;	b. 3-Trifluoromethoxy-4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl) benzaldehyde. To a solution of <strong>[85366-66-1]3-bromo-4-trifluoromethoxybenzaldehyde</strong> (10.0 g, 37.2 mmol), (3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl) boronic acid (11.0 g, 44.68 mmol, 1.2 eq) in a mixture of toluene (100 mL), ethanol (20 mL) and water (15 mL) was added potassium carbonate (10.28 g, 74.4 mmol, 2 eq). The mixture was degased with argon for 40 minutes. Tetrakis(triphenylphosphine)palladium(0) (0.86 g, 0.74 mmol, 0.02 eq) was added and the mixture heated at reflux under argon for 22 hours. The mixture was cooled to room temperature, diluted with ethyl acetate and washed successively with water and brine, dried over MgSO4, filtered and evaporated. The residue was chromatographed on silica gel (eluent: ethyl acetate/hexane 5:95) to give 3-trifluoromethoxy-4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl) benzaldehyde (11.1 g, 76%), 1H NMR (300 MHz; CDCl3) 1.25 (s, 6 H); 1.32 (s, 6 H); 1.70 (s, 4 H); 2.08 (s, 3 H); 7.06 (s, 1 H); 7.18 (s, 1 H); 7.48 (dd, J1=8.4 Hz, J2=1.5 Hz, 1 H); 7.84 (d, J=2.0 Hz, 1 H); 7.88 (dd, J1=2.0 Hz, J2=8.5 Hz, 1 H), 9.91 (s, 1 H).

Reference： [1]Patent: US2003/144329,2003,A1

3
Ba(OH)2.8H₂O [ No CAS ]
[ 85366-66-1 ]
[ 532440-90-7 ]
[ 532440-89-4 ]

Yield	Reaction Conditions	Operation in experiment
50%	In 1,4-dioxane; methanol; dichloromethane; water;	a. 7-[5-formyl-2-trifluoromethoxy-phenyl]-3,3-dimethyl-2,3-dihydro-benzofuran -5-carboxylic acid dimethylamide. To a solution of 7-bromo-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide (437 mg, 1.46 mmol) in dioxane (4 mL), were added under argon, triethylamine (0.82 mL, 5.86 mmol), Pd(OAc)2 (16 mg, 0.07 mmol), 2-(dicyclohexylphosphino)biphenyl (103 mg, 0.29 mmol) and pinacolborane (0.64 mL, 4.40 mmol) dropwise. The mixture was heated at 80 C. under argon for 2 hrs then cooled to room temperature. Water (0.5 mL) was added dropwise, then Ba(OH)2.8H2O (1.38 g, 4.40 mmol) followed by 3-bromo-4-trifluoromethoxy benzaldehyde (473 mg, 1.76 mmol) dissolved in dioxane (1.2 mL). The mixture was refluxed for 4 hours then cooled to room temperature, diluted with ethyl acetate and filtered over celite. The solution was further washed with water and brine, dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was purified on silica gel (5% methanol in dichloromethane) to give 264 mg of 7-[5-formyl-2-trifluoromethoxy-phenyl]-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide (containing 50% of 3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide as determined by 1H NMR) use as this in the next step.

Reference： [1]Patent: US2003/144329,2003,A1

4
[ 85366-66-1 ]
[ 500165-20-8 ]
[ 500165-19-5 ]

Yield	Reaction Conditions	Operation in experiment
93%	With potassium carbonate;tetrakis(triphenylphosphine)palladium (0); In ethanol; hexane; water; ethyl acetate; toluene;	a. 3-(5-isobutyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde. A mixture of 3-bromo-4-trifluoromethoxy benzaldehyde (4.24 g, 15.75 mmol), 5-isobutyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-boronic acid (4.3 g, 17.33 mmol) and potassium carbonate (4.35 g, 31.5 mmol) in toluene (39 mL), ethanol (7.5 mL) and water (2.5 mL) was degassed with argon for 15 minutes. Tetrakis(triphenylphosphine)palladium(0) (0.728 g, 0.63 mmol) was added and the mixture heated at reflux under argon for 20 hrs. The solution was cooled to room temperature, diluted with ethyl acetate and washed successively with water and brine, dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was purified on silica gel (0 to 5% ethyl acetate in hexane) to give 5.76 g of 3-(5-isobutyl -3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde (93%). 1H NMR (300 MHz; CDCl3): 0.92 (d, J=6.9 Hz, 6 H), 1.36 (s, 6 H), 1.84 (m, 1 H), 2.47 (d, J=7.5 Hz, 2 H), 4.22 (s, 2 H), 6.92 (d, J=4.8 Hz, 2 H), 7.46 (dd, J=1.5 Hz and 8.7 Hz, 1 H), 7.90 (dd, J=2.1 Hz and 8.7 Hz, 1 H), 8.03 (d, J=2.1 Hz, 1 H), 10.03 (s, 1 H).
93%	With potassium carbonate;tetrakis(triphenylphosphine)palladium (0); In ethanol; hexane; water; ethyl acetate; toluene;	a. 3-(5-isobutyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde. A mixture of 3-bromo-4-trifluoromethoxy benzaldehyde (4.24 g, 15.75 mmol), 5-isobutyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-boronic acid (4.3 g, 17.33 mmol) and potassium carbonate (4.35 g, 31.5 mmol) in toluene (39 mL), ethanol (7.5 mL) and water (2.5 mL) was degassed with argon for 15 minutes. Tetrakis(triphenylphosphine)palladium(0) (0.728 g, 0.63 mmol) was added and the mixture heated at reflux under argon for 20 hrs. The solution was cooled to room temperature, diluted with ethyl acetate and washed successively with water and brine, dried over anhydrous magnesium sulfate, filtered and evaporated. The residue was purified on silica gel (0 to 5% ethyl acetate in hexane) to give 5.76 g of 3-(5-isobutyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde (93%). 1H NMR (300 MHz; CDCl3): 0.92 (d, J=6.9 Hz, 6 H), 1.36 (s, 6 H), 1.84 (m, 1 H), 2.47 (d, J=7.5 Hz, 2 H), 4.22 (s, 2 H), 6.92 (d, J=4.8 Hz, 2 H), 7.46 (dd, J=1.5 Hz and 8.7 Hz, 1 H), 7.90 (dd, J=2.1 Hz and 8.7 Hz, 1 H), 8.03 (d, J=2.1 Hz, 1 H), 10.03 (s, 1 H).

Reference： [1]Patent: US2003/144329,2003,A1
[2]Patent: US2003/83357,2003,A1

Yield	Reaction Conditions	Operation in experiment
74%		At a boiling point of 112 C., 3-bromo-4-trifluoromethoxybenzaldehyde was obtained in a yield of 31.3 g. This corresponds to a yield of 74% of theory.

6
[ 85366-65-0 ]
[ 85366-66-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium dichromate; sulfuric acid; In dichloromethane; water;	A mixture of 29.4 g (0.3 mol) of sulphuric acid, 50 ml of water and 2 ml of "Aliquat" 336 (tricaprylmethylammonium chloride) was added to a solution of 27 g (0.1 mol) of 3-bromo-4-trifluoromethoxybenzyl alcohol in 250 ml of methylene chloride at room temperature. Thereafter, 9.7 g (0.033 mol) of potassium dichromate were added to the reaction mixture, and the temperature was kept at approx. 25 C. for 2 hours by slight cooling. After 100 ml of water had been added to the mixture, the organic phase was separated off and the water was once again extracted by shaking with 100 ml of methylene chloride. The organic phases were washed twice with 100 ml of water, then once with 100 ml of saturated sodium bicarbonate solution, and once again with 100 ml of water, dried over sodium sulphate, and concentrated by evaporation in vacuo. The residue was distilled. In this manner, 20.4 g (75.8% of theory) of 3-bromo-4-trifluoromethoxybenzaldehyde were obtained as a colorless oil of boiling point 97 C./10 mm Hg. STR23

Reference： [1]Patent: US4529557,1985,A

7
[ 85366-66-1 ]
[ 85373-96-2 ]

Yield	Reaction Conditions	Operation in experiment
91%		A solution of hydrogen peroxide (30% in water, 1 15 mL) in 15% aqueuosNaOH was added slowly to a solution of <strong>[85366-66-1]3-bromo-4-(trifluoromethoxy)benzaldehyde</strong> (25 g, 93 mmol) in methanol (1 15 mL) at 0 0C. After the addition the reaction mixture <n="129"/>was warmed up to room temperature and stirred for 4 hours. The reaction was monitored by TLC (10% MeOH in CH2CI2). After the reaction was complete the reaction mixture was acidified with 5 N HCI to pH = 1. The white solid formed was isolated by filtration, washed with water (2X), and then dried at 50 0C overnight to yield the title compound as a white solid (24.1 g, 91 % yield).

Reference： [1]Patent: WO2009/143404,2009,A1 .Location in patent: Page/Page column 127-128

8
[ 85366-66-1 ]
[ 1360911-54-1 ]
[ 1360917-93-6 ]

Yield	Reaction Conditions	Operation in experiment
		Example 7-6 4-{8-[3-cyclopropyl-4-(trifluoromethoxy)benzyl]-2~oxo-l-oxa-3,8-diazaspiro[4.5]dec-3- yl} benzoic acid, TFA salt Step 1. Synthesis of methyl 4-{8-[3-bromo-4-(trifluoromethoxy)bertzyl]-2-oxo-l-oxa-3,8- diazaspiro[4.5]dec-3-yl}benzoate To methyl 4-(2-oxo-l-oxa-3,8-diazaspiro[4.5]dec-3-yl)benzoate hydrochloride salt (300 mg, 0.918 mmol; Example 1 , Step 2), MP-cyanoborohydride (1192 mg, 2.75 mmol), 3-bromo-4- trifluoromethoxybenzaldehyde (272 mg, 1.01 mmol) and AcOH (79 mu, 1.38 mmol) was added 5 mL of DMF. The reaction mixture was filtered, the resin was washed with DMF and the solvent was evaporated. The residue was dissolved in saturated aqueous NaHC03 and extracted with DCM. The combined organic layers were evaporated to yield the title compound as a light yellow solid (330 mg) that was used without any further purification.LCMS (m/e): 543

Reference： [1]Patent: WO2012/24183,2012,A1 .Location in patent: Page/Page column 217

9
[ 85366-66-1 ]
[ 141-82-2 ]
[ 1445564-96-4 ]

Yield	Reaction Conditions	Operation in experiment
14.6 g	With piperidine; pyridine; at 100℃; for 2h;	To a solution of 14 g (52 mmol) of the aldehyde prepared above in 50 ml abs. pyridine 7.0 g (67.6 mmol) malonic acid and 2.6 ml piperidine are added at r.t. subsequently under stirring. The reaction mixture is stirred for 2 h at 100 C. After removal of the solvent under reduced pressure 100 ml water are added and the solution is acidified by addition of 2 N aq. HCI. The reaction product is isolated by filtration and dried in a drying cabinet under reduced pressure at 50 C. 14.6 g of a solid are obtained. 1H-NMR (d6-DMSO, 500 MHz, delta ppm): = 6.66 (d, J = 16.1 Hz, 1 H), 7.56 (d, 1 H, J = 8.6 Hz), 7.59 (d, 1 H, 16.1 Hz), 7.85 (dd, 1 H, J = 8.6 Hz, 2.2 Hz), 8.22 (d, 1 H, J = 2.2 Hz), 12.5 (br s, 1 H)

Reference： [1]Patent: WO2013/92756,2013,A1 .Location in patent: Page/Page column 53

10
[ 85366-66-1 ]
(2R)-3-(1-amino-7-trifluoromethoxyisoquinolin-6-yl)-2-[(3S)-2-oxo-3-[(2-pyrrolidin-1-ylthiazole-5-sulfonyl)amino]pyrrolidin-1-yl]propionic acid propyl ester hydrochloride [ No CAS ]