ChemSpider 2D Image | E7449 | C18H15N5O

E7449

  • Molecular FormulaC18H15N5O
  • Average mass317.345 Da
  • Monoisotopic mass317.127655 Da
  • ChemSpider ID35308197

More details:

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

1140964-99-3 [RN]
2X-121
3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro- [ACD/Index Name]
8-(1,3-Dihydro-2H-isoindol-2-ylmethyl)-1,2-dihydro-3H-pyridazino[3,4,5-de]chinazolin-3-on [German] [ACD/IUPAC Name]
8-(1,3-Dihydro-2H-isoindol-2-ylmethyl)-1,2-dihydro-3H-pyridazino[3,4,5-de]quinazolin-3-one [ACD/IUPAC Name]
8-(1,3-Dihydro-2H-isoindol-2-ylméthyl)-1,2-dihydro-3H-pyridazino[3,4,5-de]quinazolin-3-one [French] [ACD/IUPAC Name]
9X5A2QIA7C
E7449
E-7449
3H-Pyridazino(3,4,5-de)quinazolin-3-one, 8-((1,3-dihydro-2H-isoindol-2-yl)methyl)-1,2-dihydro-
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12418
      Cell Cycle/DNA Damage; MedChem Express HY-12418
      E7449 is an orally bioavailable, potent, small molecule inhibitor of PARP1 and PARP2; enhances the efficacy of radiotherapy and chemotherapy and has potent single agent anticancer activity in BRCA-def icient tumors. MedChem Express
      E7449 is an orally bioavailable, potent, small molecule inhibitor of PARP1 and PARP2; enhances the efficacy of radiotherapy and chemotherapy and has potent single agent anticancer activity in BRCA-deficient tumors.; IC50 value:; Target: PARP1/2 inhibitor; E7449 is an orally bioavailable, potent, small molecule inhibitor of Poly(ADP-ribose) Polymerase (PARP)1 and PARP2. MedChem Express HY-12418
      E7449 is an orally bioavailable, potent, small molecule inhibitor of PARP1 and PARP2; enhances the efficacy of radiotherapy and chemotherapy and has potent single agent anticancer activity in BRCA-deficient tumors.;IC50 value:;Target: PARP1/2 inhibitorE7449 is an orally bioavailable, potent, small molecule inhibitor of Poly(ADP-ribose) Polymerase (PARP)1 and PARP2. E7449 potently inhibits PARP1 and PARP2 in a cell-free assay and potentiates the cytotoxicity of both radiotherapy and chemotherapy. The cytotoxic effect of radiotherapy was enhanced by E7449 in clonogenic survival assays. ;The anti-tumor activity of the alkylating agent temozolomide was potentiated by E7449 in a dose responsive manner in vivo in the B16-F10 melanoma isograft mouse model. Daily dosing of E7449 as a single agent significantly inhibited tumor growth in a genetically engineered BRCA1 null mouse ovarian xenograft model. In the BRCA1 mutant human breast cancer cell line MDA-MB-436, E7449 significantly inhib MedChem Express HY-12418
      PARP MedChem Express HY-12418

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

Density: 1.4±0.1 g/cm3
Boiling Point: 381.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.5±25.7 °C
Index of Refraction: 1.731
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 71.43
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.94
ACD/KOC (pH 7.4): 203.50
Polar Surface Area: 70 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 226.1±3.0 cm3

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