ChemSpider 2D Image | VX-11e | C24H20Cl2FN5O2

VX-11e

  • Molecular FormulaC24H20Cl2FN5O2
  • Average mass500.352 Da
  • Monoisotopic mass499.097809 Da
  • ChemSpider ID9809469
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrrole-2-carboxamide, 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- [ACD/Index Name]
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
4-{2-[(2-Chlor-4-fluorphenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorphenyl)-2-hydroxyethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-{2-[(2-Chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-{2-[(2-Chloro-4-fluorophényl)amino]-5-méthyl-4-pyrimidinyl}-N-[(1S)-1-(3-chlorophényl)-2-hydroxyéthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
896720-20-0 [RN]
VX-11e
(S)-4-(2-((2-chloro-4-fluorophenyl)amino)-5-methylpyrimidin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
[896720-20-0]
11e [PMID: 19827834]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Enzymes Tocris Bioscience 4465
      ERK MedChem Express HY-14178
      Kinases Tocris Bioscience 4465
      MAPK MedChem Express HY-14178
      MAPK Family Tocris Bioscience 4465
      MAPK; MedChem Express HY-14178
      Potent and selective ERK2 inhibitor Tocris Bioscience 4465
      Potent and selective extracellular signal-related kinase 2 (ERK2) inhibitor (Ki values are <2, 395, 540 and 852 nM for ERK2, GSK-3, Aurora Kinase A and Cdk2 respectively). Potently blocks proliferatio n of HT29 cells (IC50 = 48 nM). Orally bioavailable. Tocris Bioscience 4465
      Potent and selective extracellular signal-related kinase 2 (ERK2) inhibitor (Ki values are <2, 395, 540 and 852 nM for ERK2, GSK-3, Aurora Kinase A and Cdk2 respectively). Potently blocks proliferation of HT29 cells (IC50 = 48 nM). Orally bioavailable. Tocris Bioscience 4465
      VX-11e is a potent, selective, and orally bioavailable inhibitor of ERK (Extracellular Signal-Regulated Kinase); antitumor agent. MedChem Express
      VX-11e is a potent, selective, and orally bioavailable inhibitor of ERK (Extracellular Signal-Regulated Kinase); antitumor agent.; IC50 value:; Target: ERK MedChem Express HY-14178
      VX-11e is a potent, selective, and orally bioavailable inhibitor of ERK (Extracellular Signal-Regulated Kinase); antitumor agent.;IC50 value:;Target: ERK MedChem Express HY-14178

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3875.91
ACD/KOC (pH 5.5): 12870.45
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3893.27
ACD/KOC (pH 7.4): 12928.07
Polar Surface Area: 103 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 345.7±3.0 cm3

Click to predict properties on the Chemicalize site






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