ChemSpider 2D Image | (4aR,4bS,6aR,7S,9aS,9bS)-N-(2-Chlorophenyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | C26H33ClN2O2

(4aR,4bS,6aR,7S,9aS,9bS)-N-(2-Chlorophenyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC26H33ClN2O2
  • Average mass441.005 Da
  • Monoisotopic mass440.223053 Da
  • ChemSpider ID26232143

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aR,7S,9aS,9bS)-N-(2-Chlorophényl)-1,4a,6a-triméthyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aR,4bS,6aR,7S,9aS,9bS)-N-(2-Chlorophenyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
(4aR,4bS,6aR,7S,9aS,9bS)-N-(2-Chlorphenyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(2-chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-, (4aR,4bS,6aR,7S,9aS,9bS)- [ACD/Index Name]
(4aa,4bb,6aa,7a,9ab,9ba,11ab)-N-(2-Chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide
[188589-66-4] [RN]
188589-66-4 [RN]
Cl-4AS-1
MFCD19690915
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Androgen Receptor Tocris Bioscience 3812
      Nuclear Receptors Tocris Bioscience 3812
      Potent steroidal androgen receptor agonist (IC50 = 12 nM). Mimics the action of 5?-dihydrotestosterone (DHT). Transactivates the mouse mammary tumor virus (MMTV) promoter; represses MMP1 promoter acti vity. Inhibits 5?-reductase type I and II (IC50 values are 6 and 10 nM respectively). Tocris Bioscience 3812
      Potent steroidal androgen receptor agonist (IC50 = 12 nM). Mimics the action of 5?-dihydrotestosterone (DHT). Transactivates the mouse mammary tumor virus (MMTV) promoter; represses MMP1 promoter activity. Inhibits 5?-reductase type I and II (IC50 values are 6 and 10 nM respectively). Tocris Bioscience 3812
      Potent steroidal androgen receptor agonist (IC50 = 12 nM). Mimics the action of 5alpha-dihydrotestosterone (DHT). Transactivates the mouse mammary tumor virus (MMTV) promoter; represses MMP1 promoter activity. Inhibits 5alpha-reductase type I and II (IC50 values are 6 and 10 nM respectively). Tocris Bioscience 3812
      Steroidal androgen receptor agonist Tocris Bioscience 3812

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.5±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 912.98
ACD/KOC (pH 5.5): 4578.24
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 912.98
ACD/KOC (pH 7.4): 4578.25
Polar Surface Area: 49 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 365.5±3.0 cm3

Click to predict properties on the Chemicalize site


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