ChemSpider 2D Image | BI-9564 | C20H23N3O3


  • Molecular FormulaC20H23N3O3
  • Average mass353.415 Da
  • Monoisotopic mass353.173950 Da
  • ChemSpider ID52082910

More details:

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

1883429-22-8 [RN]
2,7-Naphthyridin-1(2H)-one, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-2-methyl- [ACD/Index Name]
4-{4-[(Dimethylamino)methyl]-2,5-dimethoxyphenyl}-2-methyl-2,7-naphthyridin-1(2H)-on [German] [ACD/IUPAC Name]
4-{4-[(Dimethylamino)methyl]-2,5-dimethoxyphenyl}-2-methyl-2,7-naphthyridin-1(2H)-one [ACD/IUPAC Name]
4-{4-[(Diméthylamino)méthyl]-2,5-diméthoxyphényl}-2-méthyl-2,7-naphtyridin-1(2H)-one [French] [ACD/IUPAC Name]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the BI 9564 probe summary on the SGC website. Tocris Bioscience 5590
    • Bio Activity:

      Bromodomains Tocris Bioscience 5590
      Cell Biology Tocris Bioscience 5590
      Epigenetics Tocris Bioscience 5590
      Potent and selective BRD9 and BRD7 inhibitor (Kd values are 14 and 239 nM, respectively). Exhibits selectivity for BRD9/7 over 48 other bromodomains, 324 kinases and 55 GPCRs. Inhibits proliferation of AML cell lines in vitro and reduces AML tumor xenograft growth in vivo. Cell permeable and orally active. Tocris Bioscience 5590
      Potent and selective BRD9 and BRD7 inhibitor; orally active Tocris Bioscience 5590

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 43.55
Polar Surface Area: 55 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 297.1±3.0 cm3

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