Name: DC41SMe
Rating: 5 (10 reviews)

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HIT ID:HIT212667021
Cas No:1354787-71-5
常用名:DC41SMe
IUPAC:N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-[4-methyl-4-(methyldisulfanyl)pentanamido]-1H-indole-2-carboxamide
IUPAC:N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-[4-methyl-4-(methyldisulfanyl)pentanamido]-1H-indole-2-carboxamide
InChI key:WKBZTEPNMBNGJH-HSZRJFAPSA-N

分子式:C38H36ClN5O4S2
分子量:726.31
氢键供体数 (HBD):5
氢键受体数 (HBA):4
LogP:6.5434985
SMILES:CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21
SMILES:CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21

DC41SMe is a DC1 derivative that is cytotoxic to Ramos, Namalwa and HL60 / s with IC50s ranging from 18-25 pM. DC1 is a simplified analogue of CC-1065, an antibody conjugate of cytotoxic DNA alkylation molecules, used for targeted treatment of cancer.

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