Name: Osimertinib dimesylate
Rating: 5 (10 reviews)

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HIT ID:HIT212672681
Cas No:2070014-82-1
常用名:Osimertinib dimesylate
别名:奥希替尼二甲磺酸盐, Mereletinib (dimesylate), AZD-9291 (dimesylate)
别名:奥希替尼二甲磺酸盐, Mereletinib (dimesylate), AZD-9291 (dimesylate)
IUPAC:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide; bis(methanesulfonic acid)
IUPAC:N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide; bis(methanesulfonic acid)
InChI key:RPUCCTLBBCSFEX-UHFFFAOYSA-N

分子式:C30H41N7O8S2
分子量:691.82
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:4.4869814
SMILES:CS(O)(=O)=O.CS(O)(=O)=O.COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
SMILES:CS(O)(=O)=O.CS(O)(=O)=O.COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12

Osimertinib dimesylate is an irreversible and mutant selective EGFR inhibitor (IC50s: 12 and 1 nM against EGFR L858R and EGFR L858R/T790M).

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