110221-39-1

Basic information

• Product Name: (S)-2-((2R,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester
• Synonyms: (S)-2-((2R,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester
• CAS NO: 110221-39-1
• Molecular Weight: 532.725
• Mol File: 110221-39-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-2-((2R,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-((2R,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester(110221-39-1)
• EPA Substance Registry System: (S)-2-((2R,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester(110221-39-1)

Safety Data

• Hazardous Substances Data: 110221-39-1(Hazardous Substances Data)

Upstream product

• 110221-28-8 (2R,6R)-6-Amino-2-thiophen-3-yl-[1,4]thiazepan-5-one 
• 110143-65-2 2-oxo-4-phenylbut-3-enoic acid 2-isopropyl-5-methylcyclohexyl ester 
• 29678-81-7 (R)-2-hydroxy4-phenylbutanoic acid 
• 110143-66-3 R-2-hydroxy-4-phenylbutyric acid L-menthyl ester 
• 1914-59-6 (E)-2-oxo-4-phenyl-3-butenoic acid 
• 5292-43-3 bromoacetic acid tert-butyl ester 
• 110143-58-3 (S)-2-((2R,6R)-5-Oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester 
• 102114-97-6 N-t-butoxycarbonyl-S-[2-nitro-1-(thien-3-yl)ethyl]-L-cysteine 
• 102090-91-5 S-[2-amino-1-(thien-3-yl)ethyl]-N-t-butoxycarbonyl-L-cysteine 
• 102090-92-6 6(R)-t-butoxycarbonylamino-5-oxo-2-(3-thienyl)perhydro-1,4-thiazepine 
• 88767-98-0 ethyl (R)-4-phenyl-2-<<(trifluoromethyl)sulfonyl>oxy>butyrate 
• 90315-82-5 ethyl (R)-2-hydroxy-4-phenylbutyrate 

Downstream Products

• 110221-55-1 (S)-2-((2R,6R)-4-Carboxymethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid 
• 110221-46-0 (S)-2-((2R,6R)-4-Carboxymethyl-5-oxo-2-thiophen-3-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride 

Relevant articles and documents

Angiotensin-Converting Enzyme Inhibitors: Perhydro-1,4-thiazepin-5-one Derivatives

α-amino>-5-oxoperhydro-1,4-thiazepin-4-yl>acetic acids (monoester monoacids) and their dicarboxylic acids having the hydrophobic substituents at the 2- or 3-position of the thiazepinone ring were prepared and assayed for angiotensin-converting enzyme (ACE) inhibitory activity.The dicarboxylic acids having the pseudoequatorial amino groups at the 6-position and the pseudoequatorial hydrophobic substituents at the 2- or 3-position of the chair conformation of the thiazepinone ring had potent in vitro inhibitory activity.The monoester monoacids having the hydrophobic substituents at the 2-position suppressed pressor response to angiotensin I for a longer duration than those having the substituents at the 3-position when administered orally.The structure-activity relationship was studied by conformational energy calculations of the thiazepinone ring.