ChemSpider 2D Image | IWR-1-exo | C25H19N3O3

IWR-1-exo

  • Molecular FormulaC25H19N3O3
  • Average mass409.437 Da
  • Monoisotopic mass409.142639 Da
  • ChemSpider ID24605050

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1127442-87-8 [RN]
4-[(1R,2R,6S,7S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]-N-(8-quinoléinyl)benzamide [French] [ACD/IUPAC Name]
4-[(1R,2R,6S,7S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(8-quinolinyl)benzamide [ACD/IUPAC Name]
Benzamide, 4-[(3aR,4R,7S,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinyl- [ACD/Index Name]
IWR-1-exo
N-(8-Chinolinyl)-4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamid [German] [ACD/IUPAC Name]
[1127442-87-8] [RN]
4-((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(quinolin-8-yl)benzamide
4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinyl-benzamide
More...

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

UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A dicarboximide having an <stereo>exo</stereo> bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1- <stereo>endo</stereo>. ChEBI CHEBI:62883
      A dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo. ChEBI CHEBI:62883

    • Bio Activity:

      Beta-catenin Tocris Bioscience 3947
      Cell Biology Tocris Bioscience 3947
      Negative control for endo-IWR 1 (Cat. No. 3532) Tocris Bioscience 3947
      Negative control for endo-IWR 1 (Cat.No. 3532). 25-fold less active than endo-IWR 1; exhibits decreased activity against the Wnt/?-catenin pathway. Tocris Bioscience 3947
      Negative control for endo-IWR 1 (Cat.No. 3532). 25-fold less active than endo-IWR 1; exhibits decreased activity against the Wnt/beta-catenin pathway. Tocris Bioscience 3947
      Negative control for endo-IWR 1 25-fold less active than endo-IWR 1; exhibits decreased activity against the Wnt/beta-catenin pathway. Active Analog also available. Tocris Bioscience 3947
      Signal Transduction Tocris Bioscience 3947
      Wnt Signaling Tocris Bioscience 3947

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.741
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.93
ACD/KOC (pH 5.5): 1255.94
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.08
ACD/KOC (pH 7.4): 1257.24
Polar Surface Area: 79 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


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