ChemSpider 2D Image | Pimasertib | C15H15FIN3O3


  • Molecular FormulaC15H15FIN3O3
  • Average mass431.201 Da
  • Monoisotopic mass431.014191 Da
  • ChemSpider ID24747378
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1236699-92-5 [RN]
4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]- [ACD/Index Name]
EMD 1036239
N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluor-4-iodphenyl)amino]isonicotinamid [German] [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]isonicotinamide [ACD/IUPAC Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      AS703026(Pimasertib) is a highly selective, potent, ATP non-competitive allosteric inhibitor of MEK1/2 with IC50 of 5 nM-2 ?M in MM cell lines.; IC50 value:; Target: MEK1/2; in vitro: AS703026 is a novel, selective, orally bioavailable MEK1/2 inhibitor that binds to the distinctive MEK allosteric site and therefore exhibits exquisite kinase selectivity. MedChem Express HY-12042
      MAPK MedChem Express HY-12042
      MAPK ; MedChem Express HY-12042
      MEK MedChem Express HY-12042

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

Density: 1.8±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.7±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.49
ACD/KOC (pH 5.5): 223.57
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.61
ACD/KOC (pH 7.4): 225.53
Polar Surface Area: 94 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 243.7±3.0 cm3

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