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Search term: IIJDFXNUWZTHIM-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | SR 1664 | C33H29N3O5

SR 1664

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID28467520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1S)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1H-indol-1-yl]methyl]- [ACD/Index Name]
1338259-05-4 [RN]
4'-[(2,3-Dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(2,3-Dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid
Acide 4'-[(2,3-diméthyl-5-{[(1S)-1-(4-nitrophényl)éthyl]carbamoyl}-1H-indol-1-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
SR 1664
[1338259-05-4] [RN]
2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
4'-[[2,3-dimethyl-5-[[[(1S)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1H-indol-1-yl]methyl]-[1,1'-biphenyl]-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Bio Activity:

      Antidiabetic agent; binds to PPAR? and potently inhibits Cdk5-mediated PPAR? phosphorylation (IC50 = 80 nM; Ki = 28.67 nM) without exhibiting PPAR? agonist activity. Does not inhibit Cdk5-dependent ph osphorylation of Rb. Reduces fasting insulin levels and improves insulin sensitivity in a mouse model of diabetes. Tocris Bioscience 4409
      Antidiabetic agent; binds to PPAR? and potently inhibits Cdk5-mediated PPAR? phosphorylation (IC50 = 80 nM; Ki = 28.67 nM) without exhibiting PPAR? agonist activity. Does not inhibit Cdk5-dependent phosphorylation of Rb. Reduces fasting insulin levels and improves insulin sensitivity in a mouse model of diabetes. Tocris Bioscience 4409
      Antidiabetic agent; binds to PPARgamma and potently inhibits Cdk5-mediated PPARgamma phosphorylation (IC50 = 80 nM; Ki = 28.67 nM) without exhibiting PPARgamma agonist activity. Does not inhibit Cdk5-dependent phosphorylation of Rb. Reduces fasting insulin levels and improves insulin sensitivity in a mouse model of diabetes. Tocris Bioscience 4409
      High affinity PPAR? ligand; blocks Cdk5-dependent PPAR? phosphorylation Tocris Bioscience 4409
      High affinity PPARgamma ligand; blocks Cdk5-dependent PPARgamma phosphorylation Tocris Bioscience 4409
      Nuclear Receptors Tocris Bioscience 4409
      PPAR Receptors Tocris Bioscience 4409
      PPARgamma Receptors Tocris Bioscience 4409
      PPARs Tocris Bioscience 4409

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 156.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 2008.48
ACD/KOC (pH 5.5): 2781.83
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 84.88
ACD/KOC (pH 7.4): 117.56
Polar Surface Area: 117 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 430.4±7.0 cm3

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