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Chemical structure of KSI-3716

GC33377

KSI-3716

Also known as 3-acetyl-8-bromo-5-chloro-2-(4-chloroanilino)-1H-quinolin-4-one

KSI-3716 is a potent c-Myc inhibitor that blocks c-MYC/MAX binding to target gene promoters· KSI-3716 is an effective intravesical chemotherapy agent for bladder cancer

ChemicalCAS1151813-61-4MW426.09FormulaC17H11BrCl2N2O2
CAS number
1151813-61-4
Molecular weight
426.09
Formula
C17H11BrCl2N2O2
Solubility
DMSO: 5 mg/mL (11·73 mM)
InChIKey
URUPDOIKTMCJNA-UHFFFAOYSA-N
Catalogue number
GC33377
Brand
GLPBIO
Computed properties PubChem CID 44565901 · XLogP 5.7 · TPSA 58.2 Ų · H-bond donors 2
XLogP
5.7
TPSA
58.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)NC3=CC=C(C=C3)Cl

Computed descriptors from PubChem (CID 44565901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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