2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan | CAS 2964536-59-0

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HIT ID:HIT218849258
Cas No:2964536-59-0
常用名:2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan
常用名:2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan
IUPAC:N-{[({[(1S)-1-[({[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}-6-(2-methanesulfonylpyrimidin-5-yl)hex-5-ynamide
IUPAC:N-{[({[(1S)-1-[({[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}-6-(2-methanesulfonylpyrimidin-5-yl)hex-5-ynamide
InChI key:NHWYUGQZZZWOGL-JWSBGTHYSA-N

分子式:C53H55FN10O13S
分子量:1091.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)CCCC#Cc6cnc(nc6)S(C)(=O)=O)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)CCCC#Cc6cnc(nc6)S(C)(=O)=O)c(c3Cn1c2=O)c45

2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan 作为 ADC 中的药物-linker 偶联物，包含一个可裂解的 linker 和 Exatecan。此偶联物能够与抗 Her3 抗体进行连接。

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