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Chemical structure of Fluzoparib

GC62121

Fluzoparib

Also known as 4-[[4-fluoro-3-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

Fluzoparib (SHR3162) is a potent and orally active PARP1 inhibitor (IC50=1·46±0·72 nM, a cell‐free enzymatic assay) with superior antitumor activity· Fluzoparib selectively inhibits the proliferation of homologous recombination repair (HR)‐deficient cells, and sensitizes both HR‐deficient and HR‐proficient cells to cytotoxic agents· Fluzoparib exhibits good pharmacokinetic properties in vivo and can be used for BRCA1/2-mutant relapsed ovarian cancer research

ChemicalCAS1358715-18-0MW472.4FormulaC22H16F4N6O2
CAS number
1358715-18-0
Molecular weight
472.4
Formula
C22H16F4N6O2
Solubility
DMSO ： 50 mg/mL (105·84 mM; Need ultrasonic)
InChIKey
XJGXCBHXFWBOTN-UHFFFAOYSA-N
Catalogue number
GC62121
Brand
GLPBIO
Computed properties PubChem CID 56649297 · XLogP 2.4 · TPSA 92.5 Ų · H-bond donors 1
XLogP
2.4
TPSA
92.5 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
34

SMILES C1CN2C(=NC(=N2)C(F)(F)F)CN1C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Computed descriptors from PubChem (CID 56649297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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