72679-01-7

Basic information

• Product Name: Benzenecarbothioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester, (S)-
• CAS NO: 72679-01-7
• Molecular Formula: C11H11ClO2S
• Molecular Weight: 242.726
• Mol File: 72679-01-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzenecarbothioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenecarbothioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester, (S)-(72679-01-7)
• EPA Substance Registry System: Benzenecarbothioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester, (S)-(72679-01-7)

Safety Data

• Hazardous Substances Data: 72679-01-7(Hazardous Substances Data)

Upstream product

• 74431-50-8 (D)-3-(Benzoylthio)-2-methylpropanoic acid 
• 72679-02-8 D-(-)-3-(benzoylthio)isobutyric acid 
• 72679-02-8 (2S)-3-(benzoylthio)-2-methylpropionic acid 

Downstream Products

• 87022-29-5 (R)-2-((S)-3-Benzoylsulfanyl-2-methyl-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid benzyl ester 
• 80870-79-7 N-(3-benzoylthio-2(S)-methylpropionyl)-N-(2-indanyl)glycine 
• 72679-24-4 (4R)-3-[(2S)-S-Benzoyl-3-mercapto-2-methylpropanoyl]-2-(4-methylphenyl)-4-thiazolidinecarboxylic acid 
• 86323-74-2 ethyl 1-<3-(benzoylthio)-2(S)-methylpropionyl>indoline-2(S)-carboxylate 
• 93040-22-3 (S)-N-cyclopentyl-N-<3-(benzoylthio)-2-methyl-1-oxopropyl>glycine tert-butyl ester 
• 108395-26-2 (2S,3aS,7aS)-1-((S)-3-Benzoylsulfanyl-2-methyl-propionyl)-octahydro-indole-2-carboxylic acid 

Relevant articles and documents

AMINO ACID DERIVATIVE HAVING N,N-DIALKYIAMINOPHENYL GROUP

A compound of the formula wherein R1 is hydrogen, lower alkyl, phenyl-lower alkyl, lower alkanoyl or benzoyl, and each phenyl in the phenyl lower alkyl and the benzoyl is unsubstituted or substituted by halogen, lower alkyl or alkoxy; R2 represents a carb

Studies on angiotensin-converting enzyme inhibitors. I. Syntheses and angiotensin-converting enzyme inhibitory activity of 2-(3-merecaptopropionyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives

(3S)-2-[(2S)-mercapto-2-methylpropionyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3S), (2S)-6a] was prepared by the reaction of (3S)-1,2,3,4-tetrahydreoisoquinoline-3-carboxylic acid test-butyl ester [(3S)-2a) or benzyl ester [(3S)-2b] with 3-benzoylthio-2-methylpropionyl chloride (3a), followed by fractional crystallization and removal of the protective group. The absolute configuration of (3S), (2S)-6a was confirmed by X-ray diffraction analysis of the thiazepinol[4,3-b]isoquinoline compound (7) derived from 6a. Resolution of 3-benzoylthio-2-methylpropionic acid (8) was completed by using optically active phenylalanine amide as a resolving agent. The other optical isomers of (3S),(2S)-6a were prepared by the reaction of (3S)- or (3R)-2b with optically active 3a. The in vitro ACE inhibitory activity of each isomer of 6a was evaluated. Among them, (3S),(2S)-6a was found to be the most potent inhibitor with an IC50 value of 8.6X10-9M. Compound (3S),(2S)-6a induced a dose-dependent inhibition of the pressor response to angiotensin 1 after oral administration to normotensive anesthetized rats. Moreover, (3S),(2S)-6a markedly reduced the systolic blood pressure in renal hypertensive rats (RHR) and spontaneously hypertensive rats (SHR). The in vivo ACE inhibitory activity and the hypotensive effects of (3S),(2S)-6a were comparable to those of captopril.