Name: Mal-PEG2-amide-C2-amide-Phenyl(β-D-glucuronide)-NMT-IN-7
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HIT ID:HIT220773192
Cas No:3032302-82-9
常用名:Mal-PEG2-amide-C2-amide-Phenyl(β-D-glucuronide)-NMT-IN-7
常用名:Mal-PEG2-amide-C2-amide-Phenyl(β-D-glucuronide)-NMT-IN-7
IUPAC:(2S,3S,4S,5R,6S)-6-(4-{[({[6-(3,4-difluoro-2-{2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethyl-1H-pyrazol-4-yl]ethoxy}phenyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)carbamoyl)oxy]methyl}-2-[3-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)propanamido]phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-(4-{[({[6-(3,4-difluoro-2-{2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethyl-1H-pyrazol-4-yl]ethoxy}phenyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)carbamoyl)oxy]methyl}-2-[3-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)propanamido]phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:InChIKey=XYCHGCXVVIRNGK-GKTBLRDKSA-N

分子式:C55H66F2N8O17
分子量:1149.169
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(Cc1cnc2ccc(cn12)-c1ccc(F)c(F)c1OCCc1c(C)n(C)nc1C(O)C(C)(C)C)C(=O)OCc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(NC(=O)CCNC(=O)CCOCCOCCN2C(=O)C=CC2=O)c1
SMILES:CN(Cc1cnc2ccc(cn12)-c1ccc(F)c(F)c1OCCc1c(C)n(C)nc1C(O)C(C)(C)C)C(=O)OCc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(NC(=O)CCNC(=O)CCOCCOCCN2C(=O)C=CC2=O)c1

Mal-PEG2-amide-C2-amide-Phenyl(β-D-glucuronide)-NMT-IN-7是一种用于 ADC 的药物-连接子偶联物。它由NMT抑制剂和稳定可裂解的linker (Mal-PEG2-amide-C2-amide-Phenyl(β-D-glucuronide)) 组成，适用于ADC的合成。

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