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Chemical structure of MC-Gly-Gly-Phe-Gly-GABA-Exatecan

GC73889

MC-Gly-Gly-Phe-Gly-GABA-Exatecan

Also known as 6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

MC-Gly-Gly-Phe-Gly-GABA-Exatecan is an agent linker conjugate for ADC, with an inhibitor for Topoisomerase Exatecan with IC50 of 22 μM

ChemicalCAS1599439-52-7MW1032.08FormulaC53H58FN9O12
CAS number
1599439-52-7
Molecular weight
1032.08
Formula
C53H58FN9O12
Solubility
DMSO : 100 mg/mL (96·89 mM; Need ultrasonic)
InChIKey
FRJRDZAEHLHAGI-NFGJMFLVSA-N
Catalogue number
GC73889
Brand
GLPBIO
Computed properties PubChem CID 118305115 · XLogP -0.1 · TPSA 292 Ų · H-bond donors 7
XLogP
-0.1
TPSA
292 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
22
Heavy atoms
75

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CCCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O

Computed descriptors from PubChem (CID 118305115), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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