Name: Valategrast
Rating: 5 (10 reviews)

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HIT ID:HIT212671642
Cas No:220847-86-9
常用名:Valategrast
别名:R-411 free base
IUPAC:2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylphenyl)formamido]-3-[4-(2,6-dichlorobenzamido)phenyl]propanoate
IUPAC:2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylphenyl)formamido]-3-[4-(2,6-dichlorobenzamido)phenyl]propanoate
InChI key:VZVNFRFMDNFPOM-VWLOTQADSA-N

分子式:C30H32Cl3N3O4
分子量:604.95
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:7.046231
SMILES:CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl
SMILES:CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl

Valategrast is a potent and orally active dual antagonist of integrin α4β1 (VLA-4) and α4β7, with the potential for Chronic obstructive pulmonary disease (COPD) and asthma treatment.

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