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Fluzoparib (SHR-3162)

CAT: 0957-S9712-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9712-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1358715-18-0
Synonyms
HS10160
Target
PARP
Applications
DNA Damage/DNA Repair
Smiles
FC1=CC=C (CC2=NNC (=O) C3=C2C=CC=C3) C=C1C (=O) N4CC[N]5N=C (N=C5C4) C (F) (F) F
Molecular Formula
C22H16F4N6O2
Additionnal Information
Fluzoparib (SHR3162, HS10160) is a potent Poly (ADP-ribose) polymerase (PARP) inhibitor that shows anti-tumor activity, with an IC50 of 1.46±0.72 nM for PARP1.
Storage Conditions
3 years -20°C powder

Chemical Information

Fuzuloparib

Fluzoparib is under investigation in clinical trial NCT03863860 (A Trial of Maintenance Treatment With Fluzoparib Versus Placebo in Relapsed Ovarian Cancer Patients).

CAS Number1358715-18-0
PubChem CID56649297
IUPAC Name4-[[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
Molecular FormulaC22H16F4N6O2
Molecular Weight472.4
XLogP2.4
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity839
SMILES
C1CN2C(=NC(=N2)C(F)(F)F)CN1C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
InChI
InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
InChIKey
XJGXCBHXFWBOTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fuzuloparib
CAS: 1358715-18-0
CID: 56649297
Formula: C22H16F4N6O2
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass472.12708642
Monoisotopic Mass472.12708642
Topological Polar Surface Area92.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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