ChemSpider 2D Image | Niraparib | C19H20N4O

Niraparib

  • Molecular FormulaC19H20N4O
  • Average mass320.388 Da
  • Monoisotopic mass320.163696 Da
  • ChemSpider ID24531930

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1038915-60-4 [RN]
2-{4-[(3S)-3-Piperidinyl]phenyl}-2H-indazol-7-carboxamid [German] [ACD/IUPAC Name]
2-{4-[(3S)-3-Piperidinyl]phenyl}-2H-indazole-7-carboxamide [ACD/IUPAC Name]
2-{4-[(3S)-3-Pipéridinyl]phényl}-2H-indazole-7-carboxamide [French] [ACD/IUPAC Name]
2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
2H-Indazole-7-carboxamide, 2-[4-[(3S)-3-piperidinyl]phenyl]- [ACD/Index Name]
HMC2H89N35
Niraparib [INN] [USAN] [Wiki]
Niraparib [French] [INN]
Niraparib [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9526 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maint enance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy. ChEBI CHEBI:176844

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10619
      Cell Cycle/DNA Damage; MedChem Express HY-10619
      MK-4827(Niraparib) is a selective inhibitor of PARP1/PARP2 with IC50 of 3.8 nM/2.1 nM; with great activity in cancer cells with mutant BRCA-1 and BRCA-2; MedChem Express http://www.medchemexpress.com/mk-4827-hydrochloride.html
      MK-4827(Niraparib) is a selective inhibitor of PARP1/PARP2 with IC50 of 3.8 nM/2.1 nM; with great activity in cancer cells with mutant BRCA-1 and BRCA-2; >330-fold selective against PARP3, V-PARP and Tank1.; IC50 value: 3.8 nM/2.1 nM( PARP1/2) [1]; Target: PARP1/2; in vitro: MK-4827 displays excellent PARP 1 and 2 inhibition with IC(50) = 3.8 and 2.1 nM, respectively, and in a whole cell assay, it inhibits PARP activity with EC(50) = 4 nM and inhibits proliferation of cancer cells with mutant BRCA-1 and BRCA-2 with CC(50) in the 10-100 nM range [1]. MedChem Express HY-10619
      MK-4827(Niraparib) is a selective inhibitor of PARP1/PARP2 with IC50 of 3.8 nM/2.1 nM; with great activity in cancer cells with mutant BRCA-1 and BRCA-2; >330-fold selective against PARP3, V-PARP and Tank1.;IC50 value: 3.8 nM/2.1 nM( PARP1/2) [1];Target: PARP1/2;In vitro: MK-4827 displays excellent PARP 1 and 2 inhibition with IC(50) = 3.8 and 2.1 nM, respectively, and in a whole cell assay, it inhibits PARP activity with EC(50) = 4 nM and inhibits proliferation of cancer cells with mutant BRCA-1 and BRCA-2 with CC(50) in the 10-100 nM range [1]. ;In vivo: MK-4827 is well tolerated in vivo and demonstrates efficacy as a single agent in a xenograft model of BRCA-1 deficient cancer [1]. In addition, MK-4827 strongly enhances the effect of radiation on a variety of human tumor xenografts, both p53 wild type and p53 mutant. The enhancement of radiation response is observed in clinically relevant radiation-dose fractionation schedules. The therapeutic window during which time MK-4827 i MedChem Express HY-10619
      PARP MedChem Express HY-10619

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 463.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.2±28.7 °C
Index of Refraction: 1.705
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 73 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

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