ChemSpider 2D Image | IWR1 | C25H19N3O3

IWR1

  • Molecular FormulaC25H19N3O3
  • Average mass409.437 Da
  • Monoisotopic mass409.142639 Da
  • ChemSpider ID24605055

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1127442-82-3 [RN]
4-(1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-N-8-quinolinyl-benzamide
4-[(1R,2S,6R,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,2S,6R,7S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(8-quinolinyl)benzamide [ACD/IUPAC Name]
4-[(1R,2S,6R,7S)-3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide
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- [ACD/Index Name]
IWR1
IWR-1
IWR-1-endo
N-(8-Chinolinyl)-4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamid [German] [ACD/IUPAC Name]
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A dicarboximide having an <stereo>endo</stereo> bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. ChEBI CHEBI:62882
      A dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. ChEBI CHEBI:62882
      Signal Transduction Tocris Bioscience 3532

    • Bio Activity:

      Axin stabilizer; promotes ß-catenin phosphorylation Tocris Bioscience 3532
      IWR-1(IWR-1-endo) is a novel small-molecule inhibitor of Wnt signaling by stabilizing the Axin destruction complex with an EC50 of 0.2 uM.; IC50 value: 0.2 uM (EC50) [1]; Target: Wnt signaling; During NSPC differentiation, MIF increased the activity of ?-galactosidase that responds to Wnt/?-catenin signaling. MedChem Express HY-12238
      Wnt MedChem Express HY-12238
      Wnt/Hedgehog/Notch MedChem Express HY-12238
      Wnt/Hedgehog/Notch; MedChem Express HY-12238

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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