ChemSpider 2D Image | RO4987655 | C20H19F3IN3O5

RO4987655

  • Molecular FormulaC20H19F3IN3O5
  • Average mass565.282 Da
  • Monoisotopic mass565.032166 Da
  • ChemSpider ID9723409

More details:

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

3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamid [German] [ACD/IUPAC Name]
3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxo-2-oxazinanyl)methyl]benzamide
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide [ACD/IUPAC Name]
3,4-Difluoro-2-[(2-fluoro-4-iodophényl)amino]-N-(2-hydroxyéthoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)méthyl]benzamide [French] [ACD/IUPAC Name]
874101-00-5 [RN]
Benzamide, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(tetrahydro-3-oxo-2H-1,2-oxazin-2-yl)methyl]- [ACD/Index Name]
MFCD19443685
RO4987655
RO-4987655
[874101-00-5] [RN]
More...

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

I3733P75ML [DBID]
UNII:I3733P75ML [DBID]
UNII-I3733P75ML [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-14719
      MAPK; MedChem Express HY-14719
      MEK MedChem Express HY-14719
      RO4987655(CH-4987655) is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1/MEK1 IC50=5.2 nM), with potential antineoplastic activity. MedChem Express
      RO4987655(CH-4987655) is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1/MEK1 IC50=5.2 nM), with potential antineoplastic activity.; IC50 value: 5.2 nM; Target: MEK1/2; MEK inhibitor RO4987655 binds to and inhibits MEK, which may result in the inhibition of MEK-dependent cell signaling and the inhibition of tumor cell proliferation. MedChem Express HY-14719
      RO4987655(CH-4987655) is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1/MEK1 IC50=5.2 nM), with potential antineoplastic activity.;IC50 value: 5.2 nM;Target: MEK1/2MEK inhibitor RO4987655 binds to and inhibits MEK, which may result in the inhibition of MEK-dependent cell signaling and the inhibition of tumor cell proliferation. MEK, a dual specificity threonine/tyrosine kinase, is a key component of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth; constitutive activation of this pathway has been implicated in many cancers. MedChem Express HY-14719

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.45
ACD/KOC (pH 5.5): 2968.65
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.45
ACD/KOC (pH 7.4): 2968.65
Polar Surface Area: 100 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

Click to predict properties on the Chemicalize site


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