Duocarmycin DM free base | Duocarmycin | CAS 1116745-06-2 | AnyMole

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HIT212667171

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HIT212667171

HIT ID:HIT212667171
Cas No:1116745-06-2
常用名:Duocarmycin DM free base
别名:Duocarmycin
IUPAC:(1S)-1-(chloromethyl)-3-{5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl}-1H,2H,3H-benzo[e]indol-5-ol
IUPAC:(1S)-1-(chloromethyl)-3-{5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl}-1H,2H,3H-benzo[e]indol-5-ol
InChI key:JRGWJJXUVWWGDA-QGZVFWFLSA-N

分子式:C26H26ClN3O3
分子量:463.96
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:3.2474768
SMILES:CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21
SMILES:CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21

Duocarmycin is a DNA minor groove binding alkylating agent and explored as drug–antibody conjugates (ADCs) . Duocarmycin is based on its characteristic curved indole structure and a spirocyclopropylcyclohexadienone electrophile to act anticancer activity.

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1-3天
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¥ 2,920.00
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