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Chemical structure of E7016

GC64209

E7016

Also known as 4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one

E7016 (GPI 21016) is an orally available PARP inhibitor· E7016 can enhance tumor cell radiosensitivity in vitro and in vivo through the inhibition of DNA repair· E7016 acts as a potential anticancer agent

ChemicalCAS902128-92-1MW349.38FormulaC20H19N3O3
CAS number
902128-92-1
Molecular weight
349.38
Formula
C20H19N3O3
Solubility
DMSO ： 25 mg/mL (71·56 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HAVFFEMDLROBGI-UHFFFAOYSA-N
Catalogue number
GC64209
Brand
GLPBIO
Computed properties PubChem CID 11660296 · XLogP 2 · TPSA 74.2 Ų · H-bond donors 2
XLogP
2
TPSA
74.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES C1CN(CCC1O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O

Computed descriptors from PubChem (CID 11660296), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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