Niraparib tosylate monohydrateProduct ingredient for Niraparib
- Name
- Niraparib tosylate monohydrate
- Drug Entry
- Niraparib
Niraparib is an orally active poly (ADP-ribose) polymerase (PARP) inhibitor. By blocking the enzymes responsible for DNA repair, niraparib induces cytotoxicity in cancer cells.6 Niraparib is selective towards PARP-1 and PARP-2.2 First approved by the FDA on March 27, 2017,3 niraparib is used to treat epithelial ovarian, fallopian tube, or primary peritoneal cancer.6 Niraparib was approved by the European Commission on November 16, 2017 7 and by Health Canada on June 27, 2019.8
- Accession Number
- DBSALT002590
- Structure
Structure for Niraparib tosylate monohydrate (DBSALT002590)
- Synonyms
- Not Available
- UNII
- 195Q483UZD
- CAS Number
- 1613220-15-7
- Weight
- Average: 510.61
Monoisotopic: 510.193691256 - Chemical Formula
- C26H30N4O5S
- InChI Key
- ACNPUCQQZDAPJH-FMOMHUKBSA-N
- InChI
- InChI=1S/C19H20N4O.C7H8O3S.H2O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1
- IUPAC Name
- 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboximidic acid 4-methylbenzene-1-sulfonic acid hydrate
- SMILES
- O.CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@]1(CCCNC1)C1=CC=C(C=C1)N1C=C2C=CC=C(C(O)=N)C2=N1
- External Links
- ChemSpider
- 52083979
- ChEMBL
- CHEMBL3989922
- Predicted Properties
Property Value Source Water Solubility 0.0547 mg/mL ALOGPS logP 2.44 ALOGPS logP 1 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 6.38 Chemaxon pKa (Strongest Basic) 10.09 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 73.93 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 105.86 m3·mol-1 Chemaxon Polarizability 36.37 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon