Name: (S)-PI3Kα-IN-4
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214320625
Cas No:2322293-84-3
常用名:(S)-PI3Kα-IN-4
别名:(S)-PI3Kα-IN-4
IUPAC:(2S)-3-{6-[5-(2-chloro-4-fluorobenzenesulfonamido)-6-methoxypyridin-3-yl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N,2-dimethylpropanamide
IUPAC:(2S)-3-{6-[5-(2-chloro-4-fluorobenzenesulfonamido)-6-methoxypyridin-3-yl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N,2-dimethylpropanamide
InChI key:LPATWVFSBNDSHR-AWEZNQCLSA-N

分子式:C25H23ClFN5O5S
分子量:560
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)[C@@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1
SMILES:CNC(=O)[C@@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1

(S)-PI3Kα-IN-4 is a potent inhibitor of PI3Kα, with an IC50 of 2.3 nM. (S)-PI3Kα-IN-4 shows 38.3-, 4.25-, and 4.93-fold selectivity for PI3Kα over PI3Kβ, PI3Kδ, and PI3Kγ, respectively. (S)-PI3Kα-IN-4 can be used for the research of cancer[1]. (S)-PI3Kα-IN-4 (compound 11) is a quinazolin-4(3H)-one derivative with 2-substituted-N-methylpropanamide substitution[1].

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