Name: DBCO-PEG3-VC-Exatecan
Rating: 5 (10 reviews)

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HIT ID:HIT218929559
Cas No:2754384-70-6
常用名:DBCO-PEG3-VC-Exatecan
IUPAC:{4-[(2S)-2-[(2S)-2-[3-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethoxy)propanamido]-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl N-[(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]carbamate
IUPAC:{4-[(2S)-2-[(2S)-2-[3-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethoxy)propanamido]-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl N-[(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]carbamate
InChI key:CNLHWMZTUKYAEM-HSCKSYQVSA-N

分子式:C71H79FN10O15
分子量:1331.466
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)OCc6ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N7Cc8ccccc8C#Cc8ccccc78)C(C)C)cc6)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)OCc6ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)N7Cc8ccccc8C#Cc8ccccc78)C(C)C)cc6)c(c3Cn1c2=O)c45

DBCO-PEG3-VC-Exatecan (compound 25) 作为一种ADC药物-连接子偶联物 (Drug-Linker Conjugate for ADC)，由具有抑制DNA拓扑异构酶I (topoisomerase I) 功能的Exatecan以及ADC连结子 (DBCO-PEG3-VC) 组成。

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