ChemSpider 2D Image | MRK-560 | C19H17ClF5NO4S2

MRK-560

  • Molecular FormulaC19H17ClF5NO4S2
  • Average mass517.918 Da
  • Monoisotopic mass517.020752 Da
  • ChemSpider ID21259349

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

677772-84-8 [RN]
Methanesulfonamide, N-[cis-4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoro- [ACD/Index Name]
MRK-560
N-{cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}-1,1,1-trifluoromethanesulfonamide [ACD/IUPAC Name]
N-{cis-4-[(4-Chlorophényl)sulfonyl]-4-(2,5-difluorophényl)cyclohexyl}-1,1,1-trifluorométhanesulfonamide [French] [ACD/IUPAC Name]
N-{cis-4-[(4-Chlorphenyl)sulfonyl]-4-(2,5-difluorphenyl)cyclohexyl}-1,1,1-trifluormethansulfonamid [German] [ACD/IUPAC Name]
[677772-84-8] [RN]
cyclohexyl sulfone-based compound, 32
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL372199/
MRK 560
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Manufactured and sold under license from Merck & Co., Inc. for use solely for preclinical research purposes (ie: not for administration to or other use in humans). Tocris Bioscience 4000

    • Bio Activity:

      ?-secretase inhibitor; attenuates amyloid plaque deposition Tocris Bioscience 4000
      ?-secretase inhibitor; inhibits proteolytic cleavage of amyloid precursor protein (APP) over the Notch pathway. Reduces levels of A? in the brain (inhibits A?40 and A?42 in SH-SY5Y neuroblastoma cells with an IC50 of 0.65 nM); attenuates plaque deposition. Orally bioavailable. Tocris Bioscience 4000
      ?-secretase inhibitor; inhibits proteolytic cleavage of amyloid precursor protein (APP) over the Notch pathway. Reduces levels of A? in the brain (inhibits A?40 and A?42 in SH-SY5Y neuroblastoma cells with an IC50 of 0.65 nM); attenuates plaque deposition. Orally bioavailable. Tocris Bioscience 4000
      Enzymes Tocris Bioscience 4000
      Gamma-Secretase Tocris Bioscience 4000
      gamma-secretase inhibitor; attenuates amyloid plaque deposition Tocris Bioscience 4000
      gamma-secretase inhibitor; inhibits proteolytic cleavage of amyloid precursor protein (APP) over the Notch pathway. Reduces levels of Abeta in the brain (inhibits Abeta40 and Abeta42 in SH-SY5Y neuroblastoma cells with an IC50 of 0.65 nM); attenuates plaque deposition. Orally bioavailable. Tocris Bioscience 4000
      Proteases Tocris Bioscience 4000

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

Density: 1.6±0.1 g/cm3
Boiling Point: 580.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2062.91
ACD/KOC (pH 5.5): 7558.30
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 124.99
ACD/KOC (pH 7.4): 457.94
Polar Surface Area: 97 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

Click to predict properties on the Chemicalize site


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