196936-96-6

Basic information

• Product Name: [((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester
• Synonyms: [((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester
• CAS NO: 196936-96-6
• Molecular Weight: 691.808
• Mol File: 196936-96-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester(196936-96-6)
• EPA Substance Registry System: [((S)-2-Hydroxy-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-piperidin-1-yl)-imino-methyl]-carbamic acid benzyl ester(196936-96-6)

Safety Data

• Hazardous Substances Data: 196936-96-6(Hazardous Substances Data)

Upstream product

• 188126-78-5 (3S,6S,9aS)-6-(3-Methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid tert-butyl ester 
• 188126-94-5 (3S,6S,9aS)-6-(3-Methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid 
• 188126-76-3 (3S,6S,9aS)-6-Benzyloxycarbonylamino-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid tert-butyl ester 
• 74863-82-4 8-(chlorosulphonyl)-3-methylquinoline 
• 188127-04-0 [Imino-((S)-3-{[(3S,6S,9aS)-6-(3-methyl-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl]-amino}-2-oxo-piperidin-1-yl)-methyl]-carbamic acid benzyl ester 

Relevant articles and documents

Design and synthesis of conformationally constrained arginal thrombin inhibitors

A series of conformationally constrained arginal thrombin inhibitors was prepared starting from 5,6 or 5,7 bicyclic lactamic structures, that an indirect approach of X-ray structure-based drug design indicated as D-Phe-Pro dipeptide mimetics. The tetrahydrocquinolyl sulfonamido derivative Ig (LR-D/009) displayed the best inhibitory potency (IC50 = 0.018 μm), with good selectivity over plasmin and trypsin.