Name: DC44SMe
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667023
Cas No:1354787-76-0
常用名:DC44SMe
IUPAC:{[(1S)-1-(chloromethyl)-3-(5-{5-[4-methyl-4-(methyldisulfanyl)pentanamido]-1H-indole-2-amido}-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-yl]oxy}phosphonic acid
IUPAC:{[(1S)-1-(chloromethyl)-3-(5-{5-[4-methyl-4-(methyldisulfanyl)pentanamido]-1H-indole-2-amido}-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-yl]oxy}phosphonic acid
InChI key:GUGCTFDJMBFTSB-HSZRJFAPSA-N

分子式:C38H37ClN5O7PS2
分子量:806.29
氢键供体数 (HBD):6
氢键受体数 (HBA):6
LogP:5.889633
SMILES:CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(OP(O)(O)=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(OP(O)(O)=O)c1ccccc21

The IC50 of DC44SMe for Ramos, Namalwa and HL60 / s cancer cells was 2.0 nM, 2.8 nM and 1.9 nM, respectively. DC44SMe can be used for targeted treatment of cancer. DC44SMe is a phosphate prodrug of DC44 and can be used in the synthesis of antibody-drug conjugates (ADC).

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