ChemSpider 2D Image | SNX-2112 | C23H27F3N4O3


  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID24624473
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[6,6-Dimethyl-4-oxo-3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamid [German] [ACD/IUPAC Name]
4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide [ACD/IUPAC Name]
4-[6,6-Diméthyl-4-oxo-3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide [French] [ACD/IUPAC Name]
908112-43-6 [RN]
Benzamide, 2-[(4-hydroxycyclohexyl)amino]-4-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]- [ACD/Index Name]
[908112-43-6] [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10214
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-10214
      HSP MedChem Express HY-10214
      SNX-2112 is a potent synthetic heat shock protein 90 (HSP90) inhibitor with an IC50 of 0.92 ?M for K562 cells.; IC50 Value: 0.92 ?M for K562 cells; Target: HSP90; in vitro: SNX-2112 competitively binds to the N-terminal adenosine triphosphate binding site of Hsp90. MedChem Express HY-10214

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.73
ACD/KOC (pH 5.5): 1307.67
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.17
ACD/KOC (pH 7.4): 1311.31
Polar Surface Area: 110 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 315.0±7.0 cm3

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