ChemSpider 2D Image | Enzastaurin | C32H29N5O2


  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID153463

More details:

Featured data source

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

170364-57-5 [RN]
1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]- [ACD/Index Name]
3-(1-Methyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(1-Methyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(1-Méthyl-1H-indol-3-yl)-4-{1-[1-(2-pyridinylméthyl)-4-pipéridinyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
Enzastaurin [Wiki]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1682
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1682
      IRRITANT Matrix Scientific 090588
      no pictogram Axon Medchem 1682
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1682
      Warning Axon Medchem 1682
    • Drug Status:

      phase III withdrawn BIONET-Key Organics LE-0014
    • Bio Activity:

      Enzastaurin (LY317615) is a potent PKC? selective inhibitor with IC50 of 6 nM, 6- to 20-fold selectivity against PKC?, PKC? and PKC?.; IC50 value: 6 nM [1]; Target: PKC?; in vitro: investigated, including MM.1S, MM.1R, RPMI 8226 (RPMI), RPMI-Dox40 (Dox40), NCI-H929, KMS-11, OPM-2, and U266, with IC50 from 0.6-1.6 ?M. MedChem Express HY-10342
      PKC MedChem Express HY-10342
      Potent PKC? inhibitor Tocris Bioscience 5994
      Potent PKC? inhibitor (IC50 values are 6, 39, 83 and 110 nM for PKC?, PKC?, PKC? and PKC?, respectively). Suppresses proliferation and induces apoptosis in HCT116 colon carcinoma and U87MG glioblastoma cells in vitro. Reduces tumor growth and exhibits antiangiogenic activity in HT-29 colon carcinoma xenografts in mice. Also suppresses growth of HCT116 and U87MG xenografts in mice. Orally active. Tocris Bioscience 5994
      TGF-beta/Smad MedChem Express HY-10342
      TGF-beta/Smad; MedChem Express HY-10342

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 8.71
ACD/KOC (pH 5.5): 46.86
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 256.17
ACD/KOC (pH 7.4): 1378.20
Polar Surface Area: 72 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 382.8±7.0 cm3

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