217453-30-0

Basic information

• Product Name: Pyrrolidine-1-carboxylic acid 4-((S)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-2-methoxycarbonyl-ethyl)-phenyl ester
• CAS NO: 217453-30-0
• Molecular Weight: 612.531
• Mol File: 217453-30-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Pyrrolidine-1-carboxylic acid 4-((S)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-2-methoxycarbonyl-ethyl)-phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrrolidine-1-carboxylic acid 4-((S)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-2-methoxycarbonyl-ethyl)-phenyl ester(217453-30-0)
• EPA Substance Registry System: Pyrrolidine-1-carboxylic acid 4-((S)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-2-methoxycarbonyl-ethyl)-phenyl ester(217453-30-0)

Safety Data

• Hazardous Substances Data: 217453-30-0(Hazardous Substances Data)

Upstream product

• 1192-63-8 1-pyrrolidinecarbonyl chloride 
• 425388-74-5 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionic acid methyl ester 
• 225517-69-1 (S)-1-((3,5-dichlorophenyl)sulfonyl)-2-methylpyrrolidine-2-carboxylic acid 
• 705-21-5 3,5-dichlorobenzensulfonyl chloride 

Relevant articles and documents

The discovery of small molecule carbamates as potent dual α4β1/α4β7 integrin antagonists

The α4β1 and α4β7 integrins are implicated in several inflammatory disease states. Systematic SAR studies of an α4β1-specific arylsulfonyl-Pro-Tyr lead led to the identification of a new α4β7 binding site, best captured by O-carbamates of Tyr for this structural class. Several compounds showed a 200- to 400-fold improvement in α4β7 binding affinity while maintaining subnanomolar α4β1 activity, for example 2l, VCAM-Ig α4β1 IC50=0.13 nM, VCAM-Ig α4β7 IC50=1.92 nM.