865110-07-2
865110-07-2
Chemical Structure
MK-0668
- CAS No.: 865110-07-2
- Formula:C31H30Cl2N6O6S
- Molecular Weight:685.58
IUPAC Name: (S)-2-((2S,4R)-1-((3-cyanophenyl)sulfonyl)-4-(cyclobutylamino)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid
InChIKey: USYYNLPEWBGIMJ-ICTDUYRTSA-N
SMILES: O=C(O)[C@H](CC1=CC=C(NC(C2=C(Cl)C=NC=C2Cl)=O)C=C1)NC([C@H]3N(S(=O)(C4=CC=CC(C#N)=C4)=O)C[C@H](NC5CCC5)C3)=O
Biological Activity: 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].
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MK-0668 | 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. | |||||||||||||||||||||
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