174960-90-8

Basic information

• Product Name: 1H-Azepine-1-acetic acid, hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)-
• CAS NO: 174960-90-8
• Molecular Formula: C15H20N2O5S
• Molecular Weight: 340.4
• Mol File: 174960-90-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1H-Azepine-1-acetic acid, hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Azepine-1-acetic acid, hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)-(174960-90-8)
• EPA Substance Registry System: 1H-Azepine-1-acetic acid, hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)-(174960-90-8)

Safety Data

• Hazardous Substances Data: 174960-90-8(Hazardous Substances Data)

Usage

Molar mass

341.42 g/mol

Physical form

White to off-white powder

Use

Synthesis of pharmaceuticals and other organic compounds

Therapeutic potential

Ability to interact with biological systems (requires further research)

Hazardous effects

May have hazardous effects if not used properly

Field of application

Medicinal chemistry and drug development.

Upstream product

• 1939-99-7 benzenesulfonyl chloride 
• 95582-22-2 (S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-hexahydro-1H-azepine-1-acetic acid,ethyl ester 
• 21568-87-6 2-aminocaprolactam 
• 93961-02-5 (S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-hexahydro-1H-azepine-1-acetic acid,phenylmethyl ester 
• 76944-95-1 tert-butyl N-[(3S)-2-oxoazepan-3-yl]carbamate 
• 142855-79-6 (3S)-3-(9-fluorenylmethoxycarbonylamino)-2-oxoperhydroazepine-1-acetic acid 
• 93961-03-6 (S)-3-Amino-2-oxo-hexahydro-1H-azepine-1-acetic acid, phenylmethyl ester 
• 174960-89-5 ((S)-2-Oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetic acid benzyl ester 
• 186261-93-8 ((S)-2-Oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetic acid ethyl ester 

Downstream Products

• 549506-83-4 N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide 
• 287182-78-9 (3S)-N-[(1S)-4-[(Aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]hexahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-1H-azepine-1-acetamide 
• 201355-27-3 N-((S)-1-Carbamimidoyl-2-ethoxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide 
• 368426-58-8 (4-{[2-(2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester 
• 201355-26-2 C₂₃H₃₅N₇O₇S 

Relevant articles and documents

Design, synthesis, and structure-activity relationships of unsubstituted piperazinone-based transition state factor Xa inhibitors

A series of novel transition state factor Xa inhibitors containing a variety of lactam ring systems as central templates was synthesized in an expedient manner and allowed for a great deal of structural variability. Among them, the piperazinone-based inhibitors were found to be not only active against factor Xa but also selective over thrombin. Optimization of the P4 moiety yielded several potent compounds with IC50 below 1 nM against factor Xa.

Design, synthesis, and evolution of a novel, selective, and orally bioavailable class of thrombin inhibitors: P1-argininal derivatives incorporating P3-P4 lactam sulfonamide moieties

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