251553-60-3

Basic information

• Product Name: 2(S)-[(p-toluenesulfonyl)amino]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]propionic acid benzyl ester
• Synonyms: 2(S)-[(p-toluenesulfonyl)amino]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]propionic acid benzyl ester
• CAS NO: 251553-60-3
• Molecular Weight: 630.725
• Mol File: 251553-60-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2(S)-[(p-toluenesulfonyl)amino]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]propionic acid benzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2(S)-[(p-toluenesulfonyl)amino]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]propionic acid benzyl ester(251553-60-3)
• EPA Substance Registry System: 2(S)-[(p-toluenesulfonyl)amino]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]propionic acid benzyl ester(251553-60-3)

Safety Data

• Hazardous Substances Data: 251553-60-3(Hazardous Substances Data)

Upstream product

• 251553-58-9 methyl [5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carboxylate 
• 1026409-99-3 [5,6,7,8-tetrahydro-4-oxo-5-[2-(pyridin-4-yl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carboxylic acid 
• 163213-38-5 methyl [5,6,7,8-tetrahydro-4-oxo-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carboxylate 
• 36212-66-5 N²-(toluene-4-sulfonyl)-L-asparagine 
• 21753-19-5 2-(S)-p-toluenesulfonylamino-β-alanine 
• 100-43-6 4-vinylpyridine 
• 98-59-9 p-toluenesulfonyl chloride 

Relevant articles and documents

A highly convergent synthesis of a fibrinogen receptor antagonist

A practical multikilogram synthesis of 2(S)-[(p-toluenesulfonyl)amino]- 3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(piperidin-4-yl)ethyl]-4H-pyrazolo[1,5- α][1,4]diazepin-2-yl]carbonyl]amino]propionic acid pentahydrate (1), an oral fibrinogen receptor antagonist, is described. The nine-step convergent process, which afforded 1 in 37% overall yield, included pyrazole 5a and N- tosylaminoalanine 16 as key fragments. Pyrazole 5a was obtained from pyrazole-3,5-dicarboxylic acid by esterification with MeOH, alkylation/cyclization with 3-bromopropylamine, and Michael addition with 4- vinylpyridine. N-Tosylaminoalanine 16 was prepared by tosylation of asparagine, Hofmann reaction, and benzyl esterification. Saponification of pyrazole 5a, coupling of the acid with N-tosylaminoalanine 16, and Pd- catalyzed hydrogenolysis and pyridine reduction completed the synthesis.