ChemSpider 2D Image | AZD2461 | C22H22FN3O3

AZD2461

  • Molecular FormulaC22H22FN3O3
  • Average mass395.427 Da
  • Monoisotopic mass395.164520 Da
  • ChemSpider ID29315037

More details:

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

1(2H)-Phthalazinone, 4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]- [ACD/Index Name]
1174043-16-3 [RN]
3K288XF5XJ
4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-1(2H)-Phthalazinone
4-[4-Fluoro-3-[(4-methoxypiperidin-1-yl)carbonyl]benzyl]phthalazin-1(2H)-one
4-{[4-fluoro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one
4-{[4-FLUORO-3-(4-METHOXYPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-2H-PHTHALAZIN-1-ONE
4-{4-Fluor-3-[(4-methoxy-1-piperidinyl)carbonyl]benzyl}-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-{4-Fluoro-3-[(4-méthoxy-1-pipéridinyl)carbonyl]benzyl}-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-{4-Fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]benzyl}-1(2H)-phthalazinone [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PARP inhibitor TargetMol T2484

    • Bio Activity:

      AZD2461 is a novel PARP inhibitor, which has the potential to avoid the olaparib resistence mediated by Pgp. MedChem Express http://www.medchemexpress.com/azd-2461.html, HY-13536
      AZD2461 is a novel PARP inhibitor, which has the potential to avoid the olaparib resistence mediated by Pgp. ;IC50 Value:;Target: PARP;In vitro:;In vivo: AZD2461 has an 80-fold increased Mdr1b expression on Olaparib-resistant KB1P tumor T6-28, without inhibition of Pgp. AZD2461 induces loss of 53BP1 expression in mice with KB1P tumors with short-term treatment. Long-term AZD2461 treatment is well tolerated and doubled the median relapse-free survival.Clinical trial: An Open-Label, Dose-Escalation Study of AZD-2461 .Phase 1 cpmpleted MedChem Express HY-13536
      Cell Cycle/DNA Damage MedChem Express HY-13536
      Cell Cycle/DNA Damage; MedChem Express HY-13536
      Chromatin/Epigenetic TargetMol T2484
      Enzymes Tocris Bioscience 6060
      PARP MedChem Express HY-13536
      PARP TargetMol T2484
      Poly(ADP-ribose) Polymerase Tocris Bioscience 6060
      Polymerases Tocris Bioscience 6060
      Potent PARP inhibitor (IC50 values are 2, 5 and 200 nM for PARP2, PARP1 and PARP3, respectively). Exhibits anticancer effects in BRCA1 mutant, but not wild-type breast cancer cell lines in vitro. Inhibits growth of olaparib-resistant mammary tumors in a mouse model and is a poor substrate for the P-gp transporter. Orally bioavailable. Tocris Bioscience 6060
      Potent PARP inhibitor; orally bioavailable Tocris Bioscience 6060

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.17
ACD/KOC (pH 5.5): 243.77
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.17
ACD/KOC (pH 7.4): 243.77
Polar Surface Area: 71 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 295.8±7.0 cm3

Click to predict properties on the Chemicalize site


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