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Pamiparib

CAT: 0957-S8592-02Size: 10 mm/ 1 mLDry Ice: YesHazardous: No
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CAT#:0957-S8592-02Size:10 mm/ 1 mL
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Description
Pamiparib is a potent and selective inhibitor of PARP1 and PARP2 with IC50 values of 0.83 and 0.11 nM, respectively in biochemical assays. It shows high selectivity over other PARP enzymes.
CAS Number
1446261-44-4
Synonyms
BGB-290
Target
PARP
Activity
DNA Damage/DNA Repair
Molecular Formula
C16H15FN4O
Storage Conditions
2 years -80 in solvent

Chemical Information

Pamiparib

Pamiparib is under investigation in clinical trial NCT03933761 (Pamiparib in Fusion Positive, Reversion Negative High Grade Serous Ovarian Cancer or Carcinosarcoma With BRCA1/2 Gene Mutations If Progression on Substrate Poly ADP Ribose Polymerase Inhibitbor (PARPI) or Chemotherapy).

CAS Number1446261-44-4
PubChem CID135565554
IUPAC Name(2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
Molecular FormulaC16H15FN4O
Molecular Weight298.31
XLogP1.6
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity566
SMILES
C[C@]12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F
InChI
InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
InChIKey
DENYZIUJOTUUNY-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Pamiparib
CAS: 1446261-44-4
CID: 135565554
Formula: C16H15FN4O
MW: 298.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.31
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass298.12298928
Monoisotopic Mass298.12298928
Topological Polar Surface Area60.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes