412352-94-4

Basic information

• Product Name: (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester
• Synonyms: (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester
• CAS NO: 412352-94-4
• Molecular Weight: 528.506
• Mol File: 412352-94-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester(412352-94-4)
• EPA Substance Registry System: (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester(412352-94-4)

Safety Data

• Hazardous Substances Data: 412352-94-4(Hazardous Substances Data)

Upstream product

• 38854-94-3 N-benzyl-L-pyroglutamic acid 

Downstream Products

• 412352-95-5 4-{(S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-2-methoxycarbonyl-ethyl}-benzoic acid 
• 412353-01-6 (S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(piperazine-1-carbonyl)-phenyl]-propionic acid methyl ester 

Relevant articles and documents

N-Acyl-l-phenylalanine derivatives as potent VLA-4 antagonists that mimic a cyclic peptide conformation

A series of N-benzylpyroglutamyl-l-phenylalanine derivatives bearing carbamoyl substituents in the 3- or 4-positions was prepared and assayed for inhibition of the interaction between VCAM and VLA-4. Potent inhibition was observed in a number of analogues with substitution in the 4-position favored over the 3-position. A crystal structure of the key intermediate 25 indicates that it accesses a low energy conformation which closely matches key pharmacophores of a structurally characterized cyclic peptide.