191597-83-8

Basic information

• Product Name: 3-((3R,4S)-4-{[(S)-1-((S)-3-Benzyloxycarbonyl-2-tert-butoxycarbonylamino-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-hydroxy-5-phenyl-pentanoylamino)-benzoic acid benzyl ester
• CAS NO: 191597-83-8
• Molecular Weight: 856.921
• Mol File: 191597-83-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-((3R,4S)-4-{[(S)-1-((S)-3-Benzyloxycarbonyl-2-tert-butoxycarbonylamino-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-hydroxy-5-phenyl-pentanoylamino)-benzoic acid benzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-((3R,4S)-4-{[(S)-1-((S)-3-Benzyloxycarbonyl-2-tert-butoxycarbonylamino-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-hydroxy-5-phenyl-pentanoylamino)-benzoic acid benzyl ester(191597-83-8)
• EPA Substance Registry System: 3-((3R,4S)-4-{[(S)-1-((S)-3-Benzyloxycarbonyl-2-tert-butoxycarbonylamino-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-hydroxy-5-phenyl-pentanoylamino)-benzoic acid benzyl ester(191597-83-8)

Safety Data

• Hazardous Substances Data: 191597-83-8(Hazardous Substances Data)

Upstream product

• 191597-79-2 (S)-2-[(1S,2R)-1-Benzyl-3-(3-benzyloxycarbonyl-phenylcarbamoyl)-3,3-difluoro-2-hydroxy-propylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 191597-75-8 3-((3R,4S)-4-tert-Butoxycarbonylamino-2,2-difluoro-3-hydroxy-5-phenyl-pentanoylamino)-benzoic acid benzyl ester 
• 103322-57-2 ethyl 5-phenyl-4(S)-[(N-tert-butoxycarbonyl)amino]-2,2-difluoro-3(R)-hydroxypentanoate 
• 7536-58-5 BOC-L-aspartic acid 4-benzyl ester 

Relevant articles and documents

Peptidyl human heart chymase inhibitors. 2. Discovery of highly selective difluoromethylene ketone derivatives with glu at P3 site

Appropriate structural modification of the difluoromethylene ketone derivatives at both P3 and P' positions led us to the discovery of peptidyl human heart chymase inhibitor 12h which shows potent activity with Ki = 6 nM and high selectivity against closely related serine protease bovine a- chymotrypsin (chymotrypsin Ki = >100 μM). Using the compound 12b, a docking study with human heart chymase was carded out to presume probable interactions.