ChemSpider 2D Image | Pradigastat | C25H24F3N3O2

Pradigastat

  • Molecular FormulaC25H24F3N3O2
  • Average mass455.472 Da
  • Monoisotopic mass455.182068 Da
  • ChemSpider ID28600522

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-4-[4-(5-{[6-(Trifluormethyl)-3-pyridinyl]amino}-2-pyridinyl)phenyl]cyclohexyl}essigsäure [German] [ACD/IUPAC Name]
{trans-4-[4-(5-{[6-(Trifluoromethyl)-3-pyridinyl]amino}-2-pyridinyl)phenyl]cyclohexyl}acetic acid [ACD/IUPAC Name]
2U23G6VNUZ
956136-95-1 [RN]
Acide {trans-4-[4-(5-{[6-(trifluorométhyl)-3-pyridinyl]amino}-2-pyridinyl)phényl]cyclohexyl}acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]-, trans- [ACD/Index Name]
LCQ908-NXA
Pradigastat [INN] [USAN]
Pradigastat [Spanish] [INN]
Pradigastat [French] [INN]
More...

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

9544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      DGAT MedChem Express HY-16278
      LCQ-908 is a new generation of diacylglycerol acyltransferase 1 (DGAT1) inhibitor as anti-obesity and anti-diabetic agents. MedChem Express
      LCQ-908 is a new generation of diacylglycerol acyltransferase 1 (DGAT1) inhibitor as anti-obesity and anti-diabetic agents.; IC50 Value:; Target: DGAT1; LCQ-908 is now in phase II clinical trials.DGAT-; 1 catalyzes the final committed step in triglyceride synthesis and is believed to play a key role in whole body energy homeostasis. MedChem Express HY-16278
      LCQ-908 is a new generation of diacylglycerol acyltransferase 1 (DGAT1) inhibitor as anti-obesity and anti-diabetic agents.;IC50 Value:;Target: DGAT1LCQ-908 is now in phase II clinical trials.DGAT-1 catalyzes the final committed step in triglyceride synthesis and is believed to play a key role in whole body energy homeostasis. Inhibition of DGAT-1 represents a novel approach to treat metabolic disease and LCQ908 is currently in Phase III development for the treatment of an orphan disease called familial chylomicronemia syndrome. Recruitment was completed for this study in the first half of 2013. The progress of medicinal chemistry efforts has resulted in a new generation of DGAT1 inhibitors that have progressed into clinical development, with the leading compound LCQ-908 (Novartis AG) now in phase II clinical trials. This exciting progress has led researchers to anticipate that an understanding of the human pharmacology of DGAT1 inhibitors.Clinical trial: Pharmacokinetics o MedChem Express HY-16278
      Metabolism/Protease MedChem Express HY-16278
      Metabolism/Protease; MedChem Express HY-16278

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 933.93
ACD/KOC (pH 5.5): 2616.08
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 16.19
ACD/KOC (pH 7.4): 45.36
Polar Surface Area: 75 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

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