ChemSpider 2D Image | Refametinib | C19H20F3IN2O5S

Refametinib

  • Molecular FormulaC19H20F3IN2O5S
  • Average mass572.337 Da
  • Monoisotopic mass572.008972 Da
  • ChemSpider ID25058723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

923032-37-5 [RN]
Cyclopropanesulfonamide, N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]- [ACD/Index Name]
JPX07AFM0N
N-{3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropansulfonamid [German] [ACD/IUPAC Name]
N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
N-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide [ACD/IUPAC Name]
N-{3,4-Difluoro-2-[(2-fluoro-4-iodophényl)amino]-6-méthoxyphényl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide [French] [ACD/IUPAC Name]
refametinib [Spanish] [INN]
Refametinib [INN]
réfamétinib [French] [INN]
More...

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

9530 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK/ERK Pathway MedChem Express HY-14691
      MAPK/ERK Pathway; MedChem Express HY-14691
      MEK MedChem Express HY-14691
      Refametinib (RDEA119, BAY 86-9766), is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity (IC50=19 nM MEK1; IC50=47 nM MEK2). MedChem Express
      Refametinib (RDEA119, BAY 86-9766), is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity (IC50=19 nM MEK1; IC50=47 nM MEK2).; IC50 Value: 19 nM (MEK1); 47 nM (MEK2) [1]; Target: MEK1; MEK2; in vitro: RDEA119 potently inhibited MEK activity in enzyme inhibition assays in a non-ATP-competitive manner (MEK1 IC50 = 19 nmol/L, MEK2 IC50 = 47 nmol/L) determined through incorporation of radioactive phosphate from ATP into ERK as substrate. MedChem Express HY-14691
      Refametinib (RDEA119, BAY 86-9766), is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity (IC50=19 nM MEK1; IC50=47 nM MEK2).;IC50 Value: 19 nM (MEK1); 47 nM (MEK2) [1];Target: MEK1; MEK2;In vitro: RDEA119 potently inhibited MEK activity in enzyme inhibition assays in a non-ATP-competitive manner (MEK1 IC50 = 19 nmol/L, MEK2 IC50 = 47 nmol/L) determined through incorporation of radioactive phosphate from ATP into ERK as substrate. RDEA119 potently inhibited MEK activity as measured by phosphorylation of ERK1/2 across several human cancer cell lines of different tissue origins and BRAF mutational status with EC50 values ranging from 2.5 to 15.8 nmol/L [1]. BAY 86-9766 exhibited potent antiproliferative activity in HCC cell lines with half-maximal inhibitory concentration values ranging from 33 to 762 nM. BAY 86-9766 was strongly synergistic with sorafenib in suppressing tumor cell proliferation and inhibiting phosphorylation of the extracellular si MedChem Express HY-14691

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

Density: 1.8±0.1 g/cm3
Boiling Point: 566.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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