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Chemical structure of QM31

GC65474

QM31

Also known as N-(2-amino-2-oxoethyl)-N,1-bis[2-(2,4-dichlorophenyl)ethyl]-4-(3,3-diphenylpropyl)-3,7-dioxo-1,4-diazepane-5-carboxamide

QM31 (SVT016426), a cytoprotective agent, is a selective inhibitor of Apaf-1· QM31 inhibits the formation of the apoptosome (IC50=7·9μM), the caspase activation complex composed by Apaf-1, cytochrome c, dATP and caspase-9· QM31 exerts mitochondrioprotective functions and interferes with the intra-S-phase DNA damage checkpoint

ChemicalCAS937735-00-7MW768.56FormulaC39H38Cl4N4O4
CAS number
937735-00-7
Molecular weight
768.56
Formula
C39H38Cl4N4O4
InChIKey
YSUHYGYGQFSKDT-UHFFFAOYSA-N
Catalogue number
GC65474
Brand
GLPBIO
Computed properties PubChem CID 16739770 · XLogP 7.7 · TPSA 104 Ų · H-bond donors 1
XLogP
7.7
TPSA
104 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
51

SMILES C1C(N(C(=O)CN(C1=O)CCC2=C(C=C(C=C2)Cl)Cl)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N(CCC5=C(C=C(C=C5)Cl)Cl)CC(=O)N

Computed descriptors from PubChem (CID 16739770), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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