ChemSpider 2D Image | GSK0660 | C19H18N2O5S2

GSK0660

  • Molecular FormulaC19H18N2O5S2
  • Average mass418.487 Da
  • Monoisotopic mass418.065704 Da
  • ChemSpider ID22504717

More details:

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

1014691-61-2 [RN]
2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-(((2-Methoxy-4-(phenylamino)phenyl)amino]sulfonyl)-2-thiophenecarboxylic acid methyl ester
3-[(4-Anilino-2-méthoxyphényl)sulfamoyl]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
GSK0660
Methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
METHYL 3-{[2-METHOXY-4-(PHENYLAMINO)PHENYL]SULFAMOYL}THIOPHENE-2-CARBOXYLATE
Methyl-3-[(4-anilino-2-methoxyphenyl)sulfamoyl]-2-thiophencarboxylat [German] [ACD/IUPAC Name]
MFCD12828770
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PPAR agonist TargetMol T2674

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12377
      Cell Cycle/DNA Damage; NF-KB; MedChem Express HY-12377
      GSK0660 is a specific antagonist of PPAR?/?, also has inverse agonist effects when used alone.; Target: PPAR?/?; in vitro: GSK0660 differentially regulates 273 transcripts in TNF?-treated cells compared to TNF? alone. MedChem Express HY-12377
      Metabolism TargetMol T2674
      Nuclear Receptors Tocris Bioscience 3433
      PPAR MedChem Express HY-12377
      PPAR Receptors Tocris Bioscience 3433
      PPAR??/?? TargetMol T2674
      PPARdelta Receptors Tocris Bioscience 3433
      PPARs Tocris Bioscience 3433
      Selective PPAR? antagonist Tocris Bioscience 3433
      Selective PPAR? antagonist (IC50 values are 0.155, > 10 and ? 10 ?M at PPAR?, PPAR? and PPAR? respectively). Exhibits inverse agonist effects when administered by itself. Tocris Bioscience 3433
      Selective PPARdelta antagonist Tocris Bioscience 3433
      Selective PPARdelta antagonist (IC50 values are 0.155, > 10 and greater than or equal to 10 muM at PPARdelta, PPARalpha and PPARgamma respectively). Exhibits inverse agonist effects when administered by itself. Tocris Bioscience 3433

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.5±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.03
ACD/KOC (pH 5.5): 2242.51
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 303.70
ACD/KOC (pH 7.4): 2020.78
Polar Surface Area: 130 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 296.0±3.0 cm3

Click to predict properties on the Chemicalize site


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