ChemSpider 2D Image | BAY 87-2243 | C26H26F3N7O2

BAY 87-2243

  • Molecular FormulaC26H26F3N7O2
  • Average mass525.526 Da
  • Monoisotopic mass525.210022 Da
  • ChemSpider ID32501975

More details:

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

1227158-85-1 [RN]
1-Cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]piperazine
1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}piperazin [German] [ACD/IUPAC Name]
1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}piperazine [ACD/IUPAC Name]
1-Cyclopropyl-4-{4-[(5-méthyl-3-{3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)méthyl]-2-pyridinyl}pipérazine [French] [ACD/IUPAC Name]
1-cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]pyridin-2-yl}piperazine
1-cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}pyrazol-1-yl)methyl]pyridin-2-yl}piperazine
BAY 87-2243
Piperazine, 1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]- [ACD/Index Name]
[1227158-85-1] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      HIF inhibitor TargetMol T2488

    • Bio Activity:

      Angiogenesis TargetMol T2488
      BAY 87-2243 is a highly potent and selective inhibitor of hypoxia-induced HIF-1 activation. MedChem Express
      BAY 87-2243 is a highly potent and selective inhibitor of hypoxia-induced HIF-1 activation.; IC50 Value: 2.0 nM(CA9 in HCT116luc cells) [1]; Target: HIF-1; in vitro: BAY 87-2243 inhibited luciferase activity with a calculated IC50 value of ~0.7 nmol/L. MedChem Express HY-15836
      HIF MedChem Express HY-15836
      HIF/HIF Prolyl-Hydroxylase MedChem Express HY-15836
      HIF-1 TargetMol T2488
      Metabolic Enzyme/Protease; MedChem Express HY-15836
      Others MedChem Express HY-15836

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 90.51
ACD/KOC (pH 7.4): 492.78
Polar Surface Area: 85 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement