Name: Sorafenib N-oxide
Rating: 5 (10 reviews)

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HIT ID:HIT214321265
Cas No:583840-03-3
常用名:Sorafenib N-oxide
别名:索拉菲尼氮氧化物
IUPAC:4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-1-oxo-1lambda5-pyridine-2-carboxamide
IUPAC:4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-1-oxo-1lambda5-pyridine-2-carboxamide
InChI key:BQAZCCVUZDIZDC-UHFFFAOYSA-N

分子式:C21H16ClF3N4O4
分子量:480.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1=O
SMILES:CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1=O

Sorafenib N-oxide is an active metabolite of sorafenib , an inhibitor of Raf-1, B-RAF, and receptor tyrosine kinases. Sorafenib N-oxide inhibits FLT3 that contains the internal tandem duplication mutation (FLT3-ITD; Kd = 70 nM) and inhibits proliferation of MV4-11 acute myeloid leukemia (AML) cells expressing FLT3-ITD (IC50 = 25.8 nM). It is selective for AML cell lines containing FLT3-ITD over lines containing wild-type FLT3 (IC50s = 3.9-13.3 μM). Sorafenib N-oxide is also a linear-mixed inhibitor of the cytochrome P450 (CYP) isoform CYP3A4 (Ki = 15 μM in human liver microsomes).

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