ChemSpider 2D Image | MK-8245 | C17H16BrFN6O4

MK-8245

  • Molecular FormulaC17H16BrFN6O4
  • Average mass467.249 Da
  • Monoisotopic mass466.040039 Da
  • ChemSpider ID28293364

More details:

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

(5-{3-[4-(2-Brom-5-fluorphenoxy)-1-piperidinyl]-1,2-oxazol-5-yl}-2H-tetrazol-2-yl)essigsäure [German] [ACD/IUPAC Name]
(5-{3-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1,2-oxazol-5-yl}-2H-tetrazol-2-yl)acetic acid [ACD/IUPAC Name]
(5-{3-[4-(2-BROMO-5-FLUOROPHENOXY)PIPERIDIN-1-YL]-1,2-OXAZOL-5-YL}-1,2,3,4-TETRAZOL-2-YL)ACETIC ACID
1030612-90-8 [RN]
2-(5-{3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl}-2H-1,2,3,4-tetrazol-2-yl)acetic acid
2H-Tetrazole-2-acetic acid, 5-[3-[4-(2-bromo-5-fluorophenoxy)-1-piperidinyl]-5-isoxazolyl]- [ACD/Index Name]
537E7QE8LX
Acide (5-{3-[4-(2-bromo-5-fluorophénoxy)-1-pipéridinyl]-1,2-oxazol-5-yl}-2H-tétrazol-2-yl)acétique [French] [ACD/IUPAC Name]
MK-8245
[1030612-90-8] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Dehydrogenase inhibitor TargetMol T2650

    • Bio Activity:

      Metabolism TargetMol T2650
      Metabolism/Protease MedChem Express HY-13070
      Metabolism/Protease; MedChem Express HY-13070
      MK-8245 is a liver-targeting inhibitor of stearoyl-CoA desaturase (SCD) with IC50 of 1 nM for human SCD1 and 3 nM for both rat SCD1 and mouse SCD1, with anti-diabetic and anti-dyslipidemic efficacy. MedChem Express
      MK-8245 is a liver-targeting inhibitor of stearoyl-CoA desaturase (SCD) with IC50 of 1 nM for human SCD1 and 3 nM for both rat SCD1 and mouse SCD1, with anti-diabetic and anti-dyslipidemic efficacy.; IC50 value: 1 nM (hSCD1) [1]; Target: SCD1; in vitro: MK-8245, a phenoxy piperidine isoxazole derivative, has been identified as a potent and liver-specific SCD inhibitor. MedChem Express HY-13070
      SCD1 TargetMol T2650
      Stearoyl-CoA Desaturase (SCD) MedChem Express HY-13070

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

Density: 1.8±0.1 g/cm3
Boiling Point: 698.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.1±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

Click to predict properties on the Chemicalize site


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