ChemSpider 2D Image | Taranabant | C27H25ClF3N3O2

Taranabant

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID9401143
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

701977-09-5 [RN]
N-[(2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)-2-butanyl]-2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]oxy}propanamide [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-Chlorophényl)-3-(3-cyanophényl)-2-butanyl]-2-méthyl-2-{[5-(trifluorométhyl)-2-pyridinyl]oxy}propanamide [French] [ACD/IUPAC Name]
N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
N-[(2S,3S)-4-(4-Chlorphenyl)-3-(3-cyanphenyl)-2-butanyl]-2-methyl-2-{[5-(trifluormethyl)-2-pyridinyl]oxy}propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]- [ACD/Index Name]
taranabant [French] [INN]
taranabant [Spanish] [INN]
taranabantum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MK-0364 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1550
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1550
      no pictogram Axon Medchem 1550
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1550
      Warning Axon Medchem 1550
    • Bio Activity:

      Cannabinoid Receptor MedChem Express HY-10013
      GPCR/G protein; MedChem Express HY-10013
      Taranabant(MK 0364) is a cannabinoid 1 receptor inverse agonist with IC50 of 0.3 nM.;IC50 Value: 0.3 nM(binding affinity);Target: Cannabinoid Receptor;Taranabant (codenamed MK-0364) is a cannabinoid receptor type 1 inverse agonist being investigated as a potential treatment for obesity due to its anorectic effects. Treatment with taranabant 0.5-, 1- and 2-mg led to significant reductions in FPG at Weeks 36 and 52. There were no significant differences in fasting serum insulin concentrations at Weeks 36 or 52. Statistically significant improvements in insulin sensitivity (QUICKI) were seen with taranabant 0.5- and 2-mg at Week 36 but not at Week 52. MedChem Express HY-10013

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40230.65
ACD/KOC (pH 5.5): 68789.78
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40231.00
ACD/KOC (pH 7.4): 68790.39
Polar Surface Area: 75 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

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