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865110-07-2

865110-07-2 Structure

865110-07-2 Structure
IdentificationBack Directory
[Name]

MK-0668
[CAS]

865110-07-2
[Synonyms]

MK-0668
USYYNLPEWBGIMJ-ICTDUYRTSA-N
(4r)-1-[(3-Cyanophenyl)Sulfonyl]-4- (Cyclobutylamino)-L-Prolyl-4-[[(3,5-Dichloro-4-Pyridinyl)Carbonyl]Amino]-L-Phenylalanine
L-Phenylalanine, (4R)-1-[(3-cyanophenyl)sulfonyl]-4-(cyclobutylaMino)-L-prolyl-4-[[(3,5-dichloro-4-pyridinyl)carbonyl]aMino]-
[Molecular Formula]

C31H30Cl2N6O6S
[MDL Number]

MFCD18782636
[MOL File]

865110-07-2.mol
[Molecular Weight]

685.58
Chemical PropertiesBack Directory
[density ]

1.54±0.1 g/cm3(Predicted)
[pka]

3.51±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

MK-0668 is an amino acid-based, potent antagonist of unactivated VLA-4, with an IC50) of 0.13 nM in human whole blood. And MK-0668 exhibits IC50s of 0.19 nM in dogs, 0.21 nM in rhesus monkeys, and 0.4 nM in rats[1].
[References]

[1] 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 J. Med. Chem., 2009, 52 (11), pp 3449-3452
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