Name: OBI-3424
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315416
Cas No:2097713-68-1
常用名:OBI-3424
IUPAC:(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis(aziridin-1-yl)phosphinate
IUPAC:(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis(aziridin-1-yl)phosphinate
InChI key:NWGZZGNICQFUHV-OAHLLOKOSA-N

分子式:C21H25N4O6P
分子量:460.427
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc(c(Oc2cccc(c2)C(=O)N(C)C)c1)N(=O)=O
SMILES:C[C@@H](OP(=O)(N1CC1)N1CC1)c1ccc(c(Oc2cccc(c2)C(=O)N(C)C)c1)N(=O)=O

OBI-3424, a highly selective prodrug, is converted by aldo-keto reductase family 1 member C3 (AKR1C3) to a potent DNA-alkylating agent.

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