913730-52-6

Basic information

• Product Name: N-[N-Boc-4(R)-cyclobutylamino-(L)-prolyl]-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester
• Synonyms: N-[N-Boc-4(R)-cyclobutylamino-(L)-prolyl]-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester
• CAS NO: 913730-52-6
• Molecular Weight: 648.587
• Mol File: 913730-52-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: N-[N-Boc-4(R)-cyclobutylamino-(L)-prolyl]-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-[N-Boc-4(R)-cyclobutylamino-(L)-prolyl]-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester(913730-52-6)
• EPA Substance Registry System: N-[N-Boc-4(R)-cyclobutylamino-(L)-prolyl]-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester(913730-52-6)

Safety Data

• Hazardous Substances Data: 913730-52-6(Hazardous Substances Data)

Upstream product

• 263276-03-5 N-Boc-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine ethyl ester 
• 229328-97-6 3,5-dichloroisonicotinoyl chloride 
• 67630-00-6 N-(tert-butyloxycarbonyl)-4-nitro-L-phenylalanine ethyl ester 
• 67630-01-7 (S)-3-(4-aminophenyl)-2-tert-butoxycarbonylamino-propionic acid ethyl ester 
• 865110-88-9 N-Boc-4(R)-cyclobutylamino-(L)-proline methyl ester 
• 13958-93-5 3,5-dichloropyridine-4-carboxylic acid 

Relevant articles and documents

Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)- prolyl}-4-[(3′,5′-dichloroisonicotinoyl)amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4

Extremely potent very late antigen-4 (VLA-4) antagonists with picomolar, whole blood activity and slow dissociation rates were discovered by incorporating an amino substituent on the proline fragment of the initial lead structure. This level of potency ag

VLA-4 ANTAGONISTS

Compounds of Formula I are antagonists of VLA-4, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of inflammatory bowel disease including ulcerative colitis and Crohn’s disease, multiple sclerosis, asthma, and rheumatoid arthritis.