ChemSpider 2D Image | BRD4770 | C25H23N3O3

BRD4770

  • Molecular FormulaC25H23N3O3
  • Average mass413.468 Da
  • Monoisotopic mass413.173950 Da
  • ChemSpider ID32813342

More details:

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

1374601-40-7 [RN]
1H-Benzimidazole-5-carboxylic acid, 2-(benzoylamino)-1-(3-phenylpropyl)-, methyl ester [ACD/Index Name]
2-(Benzoylamino)-1-(3-phénylpropyl)-1H-benzimidazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid methyl ester
BRD4770
Methyl 2-(benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylate [ACD/IUPAC Name]
methyl 2-benzamido-1-(3-phenylpropyl)-1,3-benzodiazole-5-carboxylate
methyl 2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylate
Methyl-2-(benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD23143627
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Histone Methyltransferase inhibitor TargetMol T1923

    • Bio Activity:

      BRD4770 is a novel G9a(EHMT2) inhibitor with EC50 of 5 uM (trimethylated H3K9 in PANC-1 cell). MedChem Express
      BRD4770 is a novel G9a(EHMT2) inhibitor with EC50 of 5 uM (trimethylated H3K9 in PANC-1 cell).; IC50 value: 5 uM (PANC-1 cell) [1]; Target: G9a inhibitor; BRD4770 activates the ATM pathway without inducing DNA damage, while the ATR pathway is not affected. MedChem Express HY-16705
      Cell Cycle/DNA Damage MedChem Express HY-16705
      Cell Cycle/DNA Damage; MedChem Express HY-16705
      Chromatin/Epigenetic TargetMol T1923
      Enzymes Tocris Bioscience 6282
      G9a TargetMol T1923
      G9a inhibitor and S-adenosyl methionine (SAM) mimetic. Inhibits methylation of H3K9 (EC50 ~ 5 muM) and induces senescence in PANC-1 cells. Induces ATM activation without DNA damage. Cell permeable. Tocris Bioscience 6282
      G9a inhibitor and S-adenosyl methionine mimetic; cell permeable Tocris Bioscience 6282
      HMTase MedChem Express HY-16705
      Lysine Methyltransferases Tocris Bioscience 6282
      Transferases Tocris Bioscience 6282

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3305.21
ACD/KOC (pH 5.5): 11273.92
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3539.37
ACD/KOC (pH 7.4): 12072.62
Polar Surface Area: 73 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 341.1±7.0 cm3

Click to predict properties on the Chemicalize site


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