Name: Pibrozelesin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218963913
Cas No:154889-68-6
常用名:Pibrozelesin
IUPAC:(8S)-8-(bromomethyl)-1-(methoxycarbonyl)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3H,6H,7H,8H-pyrrolo[3,2-e]indol-4-yl 4-methylpiperazine-1-carboxylate
IUPAC:(8S)-8-(bromomethyl)-1-(methoxycarbonyl)-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3H,6H,7H,8H-pyrrolo[3,2-e]indol-4-yl 4-methylpiperazine-1-carboxylate
InChI key:QRMNENFZDDYDEF-GOSISDBHSA-N

分子式:C32H36BrN5O8
分子量:698.571
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3N(C[C@@H](CBr)c3c12)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
SMILES:COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3N(C[C@@H](CBr)c3c12)C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

Pibrozelesin is a water-soluble derivative of duocarmycin B2 that alkylates DNA by binding to adenine-thymine (A-T)-rich sequences in the minor groove of DNA, thereby inhibiting DNA replication and inducing apoptosis.

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