160135-92-2

Basic information

• Product Name: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid
• Synonyms: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid;GeMopatrilat;2-[2,2-Dimethyl-7-oxo-6(S)-[3-phenyl-2(S)-sulfanylpropanamido]hexahydro-1H-azepin-1-yl]acetic acid;(6S)-Hexahydro-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid;BMS 189921
• CAS NO: 160135-92-2
• Molecular Formula: C₁₉H₂₆N₂O₄S
• Molecular Weight: 378.4857
• Mol File: 160135-92-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 649.6°C at 760 mmHg
• Flash Point: 346.6°C
• Appearance: /
• Density: 1.25g/cm³
• Vapor Pressure: 9.28E-18mmHg at 25°C
• Refractive Index: 1.591
• CAS DataBase Reference: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid(160135-92-2)
• EPA Substance Registry System: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]acetic acid(160135-92-2)

Safety Data

• Hazardous Substances Data: 160135-92-2(Hazardous Substances Data)

Usage

Uses

Treatment of hypertension and congestive heart failure (vasopeptidase inhibitor).

InChI:InChI=1/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15?/m0/s1

Upstream product

• 182886-84-6 (S)-Hexahydro-6-[(triphenylmethyl)amino]-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid, ethyl ester 
• 197902-93-5 (S)-2-phthalimido-6-methyl-6-azidoheptanoic acid, phenylmethyl ester 
• 197902-92-4 (S)-2-phthalimido-6-methyl-6-hydroxyheptanoic acid, phenylmethyl ester 
• 182886-36-8 (S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-6-oxo-heptanoic acid benzyl ester 
• 182886-83-5 (S)-hexahydro-7,7-dimethyl-3-<(triphenylmethyl)amino>-2H-azepin-2-one 
• 182886-39-1 (S)-hexahydro-6-phthalimido-2,2-dimethyl-2H-azepin-7-one 
• 182886-43-7 (S)-6-aminohexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid ethyl ester 
• 84688-14-2 benzyl (S)-2-(1,3-dioxoisoindolin-2-yl)-6-oxohexanoate 
• 84688-11-9 (S)-2-(1,3-dioxoisoindolin-2-yl)-6-hydroxyhexanoic acid 
• 229976-39-0 6-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]hexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid 1,1-dimethylethyl ester 
• 606147-29-9 (S)-hexahydro-2,2-dimethyl-7-oxo-6-[(phenylmethoxy)carbonylamino]-1H-azepine-1-acetic acid 1,1-dimethylethyl ester 
• 606147-35-7 hexahydro-2,2-dimethyl-6-[[(1,1-dimethylethoxy)carbonyl]amino]-7-oxo-1H-azepine-1-acetic acid 1,1-dimethylethyl ester 
• 229976-43-6 (S)-6-aminohexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid 1,1-dimethylethyl ester 
• 606147-36-8 6-aminohexahydro-2,2-dimethyl-7-oxo-1H-azepine-1-acetic acid 1,1-dimethylethyl ester 

Relevant articles and documents

Efficient asymmetric synthesis of the vasopeptidase inhibitor BMS-189921

(Matrix presented) An efficient asymmetric synthesis of the vasopeptidase inhibitor BMS-189921 was accomplished. Two short enantioselective syntheses of the common key intermediate (S)-α-aminoazepinone 6b were developed. Olefin 3 was converted to 6b via a

Vasopeptidase inhibitors: Incorporation of geminal and spirocyclic substituted azepinones in mercaptoacyl dipeptides

A series of 7-(di)alkyl and spirocyclic substituted azepinones were generated and incorporated as conformationally restricted dipeptide surrogates in mercaptoacyl dipeptides. Clear structure-activity relationships with respect to both angiotensin-converti