Name: EC1167
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667713
Cas No:1610414-00-0
常用名:EC1167
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[({[4-({[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}methyl)phenyl]methyl}carbamoyl)amino]pentyl]carbamoyl}amino)pentanedioic acid
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-[({[4-({[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}methyl)phenyl]methyl}carbamoyl)amino]pentyl]carbamoyl}amino)pentanedioic acid
InChI key:NAFZHTBVPLIASG-YFNVTMOMSA-N

分子式:C33H45N7O17S
分子量:843.82
氢键供体数 (HBD):14
氢键受体数 (HBA):17
LogP:-3.0814683
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1ccc(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O)cc1)C(O)=O)C(O)=O
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1ccc(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O)cc1)C(O)=O)C(O)=O

EC1169 is a targeted tubulysin conjugate that utilizes EC1167 as its linker. This compound shows promise in the treatment of recurrent metastatic, castration-resistant prostate cancer (MCRPC)[1].

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