110143-57-2

Basic information

• Product Name: (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine
• Synonyms: (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine;[2s-[2a,6b(r*)]]-alpha-[[hexahydro-5-oxo-2-(2-thienyl)-1,4-thiazepin-6-yl]amino]-benzenebutanoic acid ethyl ester;(2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-Phenylpropyl]Amino]-5-Oxo-(2-Thienyl)Perhydro-;(2S,6R)-6-[[(1S)-1-ethoxycarbonyl]-3- phenylpropyl]amino]-2-(2-thienyl)-1,4-thiazepan-5-one;(S)-Ethyl 2-(((2S,6R)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl)amino)-4-phenylbutanoate
• CAS NO: 110143-57-2
• Molecular Formula: C₂₁H₂₆N₂O₃S₂
• Molecular Weight: 418.57
• Mol File: 110143-57-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 644.4 °C at 760 mmHg
• Flash Point: 343.5 °C
• Appearance: /
• Density: 1.26
• Vapor Pressure: 1.7E-16mmHg at 25°C
• Refractive Index: 1.614
• Storage Temp.: 2-8°C
• PKA: 14.58±0.60(Predicted)
• CAS DataBase Reference: (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine(110143-57-2)
• EPA Substance Registry System: (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine(110143-57-2)

Safety Data

• Hazardous Substances Data: 110143-57-2(Hazardous Substances Data)

Usage

General Description

The chemical "(2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine" is a compound with a complex molecular structure. It contains a thienyl group and a perhydro-1,4-thiazepine ring. Additionally, it includes an amino group and an ethoxycarbonyl group, as well as a phenylpropyl substituent. (2S,6R)-6-[[1(s)-Ethoxycarbonyl-3-phenylpropyl]amino]-5-oxo-(2-thienyl)perhydro-1,4-thiazepine likely has potential pharmaceutical or research applications due to its unique structure and functional groups. Further study and analysis of its properties may reveal its potential uses in drug development or other industries.

InChI:InChI=1/C21H26N2O3S2/c1-2-26-21(25)16(11-10-15-7-4-3-5-8-15)23-17-14-28-19(13-22-20(17)24)18-9-6-12-27-18/h3-9,12,16-17,19,23H,2,10-11,13-14H2,1H3,(H,22,24)/t16-,17-,19-/m0/s1

Upstream product

• 88767-98-0 ethyl (R)-4-phenyl-2-<<(trifluoromethyl)sulfonyl>oxy>butyrate 
• 110221-26-6 (2S,6R)-6-Amino-2-thiophen-2-yl-[1,4]thiazepan-5-one 
• 102090-86-8 N-t-butoxycarbonyl-S-[2-nitro-1-(thien-2-yl)ethyl]-L-cysteine 
• 102090-87-9 S-[2-amino-1-(thien-2-yl)ethyl]-N-t-butoxycarbonyl-L-cysteine 
• 950913-92-5 6(R)-t-butoxycarbonylamino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine 
• 110143-65-2 2-oxo-4-phenylbut-3-enoic acid 2-isopropyl-5-methylcyclohexyl ester 
• 90315-82-5 ethyl (R)-2-hydroxy-4-phenylbutyrate 
• 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 
• 34312-77-1 1-(2-thienyl)-2-nitroethene 

Downstream Products

• 110221-53-9 [3H]-Temocaprilat 
• 110221-44-8 temocapril Hydrochloride 
• 110221-37-9 (S)-2-((2S,6R)-4-tert-Butoxycarbonylmethyl-5-oxo-2-thiophen-2-yl-[1,4]thiazepan-6-ylamino)-4-phenyl-butyric acid ethyl ester 

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.