Name: Dasatinib analog-1
Rating: 4 (6 reviews)

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HIT ID:HIT218832955
Cas No:
Common Name:Dasatinib analog-1
IUPAC:N-(2-chloro-4-fluoro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
IUPAC:N-(2-chloro-4-fluoro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
InChIKey:FCRGTVFXNINSGB-UHFFFAOYSA-N

Molecular Formula:C22H25ClFN7O2S
Molecular Weight:506
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cc(F)cc2Cl)cc(n1)N1CCN(CCO)CC1
SMILES:Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cc(F)cc2Cl)cc(n1)N1CCN(CCO)CC1

Dasatinib analog-1 (compound 5826) demonstrates inhibition of CYP3A4 activity, presenting a K_i value of 5.4 μM, and effectively prevents the formation of glutathione adducts [1].

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