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Chemical structure of TDP1 Inhibitor-2

GC70002

TDP1 Inhibitor-2

Also known as 7-[(2,6-dichlorophenyl)methoxy]-4-(2-oxochromen-3-yl)chromen-2-one

TDP1 Inhibitor-2 (compound 5) is an effective inhibitor of TDP1 (tyrosyl-DNA phosphodiesterase 1), with an IC50 of 99 nM· TDP1 Inhibitor-2 can also inhibit SCAN1 (spinocerebellar ataxia with axonal neuropathy), with an IC50 of 3·5 μM

ChemicalCAS859142-95-3MW465.28FormulaC25H14Cl2O5
CAS number
859142-95-3
Molecular weight
465.28
Formula
C25H14Cl2O5
Solubility
DMSO : 8·33 mg/mL (17·90 mM; ultrasonic and warming and heat to 80°C)
InChIKey
QEOYHBDGERTIQV-UHFFFAOYSA-N
Catalogue number
GC70002
Brand
GLPBIO
Computed properties PubChem CID 1767837 · XLogP 5.8 · TPSA 61.8 Ų · H-bond donors 0
XLogP
5.8
TPSA
61.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32

SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=O)OC4=C3C=CC(=C4)OCC5=C(C=CC=C5Cl)Cl

Computed descriptors from PubChem (CID 1767837), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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