ChemSpider 2D Image | N-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2R)-2,3-dihydroxypropyl]cyclopropanesulfonamide | C19H20F3IN2O5S

N-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2R)-2,3-dihydroxypropyl]cyclopropanesulfonamide

  • Molecular FormulaC19H20F3IN2O5S
  • Average mass572.337 Da
  • Monoisotopic mass572.008972 Da
  • ChemSpider ID28189753

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclopropanesulfonamide, N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl]-1-[(2R)-2,3-dihydroxypropyl]- [ACD/Index Name]
N-{3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]-6-methoxyphenyl}-1-[(2R)-2,3-dihydroxypropyl]cyclopropansulfonamid [German] [ACD/IUPAC Name]
N-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2R)-2,3-dihydroxypropyl]cyclopropanesulfonamide [ACD/IUPAC Name]
N-{3,4-Difluoro-2-[(2-fluoro-4-iodophényl)amino]-6-méthoxyphényl}-1-[(2R)-2,3-dihydroxypropyl]cyclopropanesulfonamide [French] [ACD/IUPAC Name]
(R)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
923032-38-6 [RN]
BAY 869766
BAY 869766 R enantiomer
BAY 86-9766 R enantiomer
BAY 869766 R enantiomer;RDEA119 R enantiomer;RDEA-119 R enantiomer;BAY 86-9766 R enantiomer
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-10216
      MAPK; MedChem Express HY-10216
      MEK MedChem Express HY-10216
      Refametinib R enantiomer (BAY 869766; RDEA119) is the only cyclopropane-1-sulfonamide derivative, and exhibits a highly selective allosteric inhibition of MEK 1/2. MedChem Express
      Refametinib R enantiomer (BAY 869766; RDEA119) is the only cyclopropane-1-sulfonamide derivative, and exhibits a highly selective allosteric inhibition of MEK 1/2.; IC50 Value: 33-762 nM (in HCC cell lines) [1]; Target: MEK1/2; in vitro: BAY 86-9766 exhibited potent antiproliferative activity in HCC cell lines with half-maximal inhibitory concentration values ranging from 33 to 762 nM. MedChem Express HY-10216
      Refametinib R enantiomer (BAY 869766; RDEA119) is the only cyclopropane-1-sulfonamide derivative, and exhibits a highly selective allosteric inhibition of MEK 1/2.;IC50 Value: 33-762 nM (in HCC cell lines) [1];Target: MEK1/2;In vitro: 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 signal-regulated kinase (ERK) [1].;In vivo: BAY 86-9766 prolonged survival in Hep3B xenografts, murine Hepa129 allografts, and MH3924A rat allografts. Additionally, tumor growth, ascites formation, and serum alpha-fetoprotein levels were reduced [1]. In a phase I/II study of patients with advanced solid tumors, refametinib was well tolerated at doses 100 mg daily. Rash was the most common TEAE. Subsequently, a phase II study enrolled seventy patients to evaluat MedChem Express HY-10216

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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