Name: MC-GGFG-DX8951
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HIT ID:HIT212669018
Cas No:1600418-29-8
Common Name:MC-GGFG-DX8951
alias:MC-GGFG-Exatecan
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-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}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-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}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
InChIKey:XEKFDUNPKACYAY-SODISJPWSA-N

Molecular Formula:C49H51FN8O11
Molecular Weight:946.99
Hydrogen Bond Donor (HBD):6
Hydrogen Bond Acceptor (HBA):11
LogP:-0.12692307
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)CCCCCN6C(=O)C=CC6=O)c(c3Cn1c2=O)c45 |c:60|
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)CCCCCN6C(=O)C=CC6=O)c(c3Cn1c2=O)c45 |c:60|

MC-GGFG-DX8951 (MC-GGFG-Exatecan) is an antibody-coupled drug (ADC) drug-linker conjugate (DLC) consisting of DX8951, a potent DNA topoisomerase I inhibitor, the linker MC, and the cleavable peptide chain GGFG, and has antitumor potential.

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