ChemSpider 2D Image | quiflapon | C34H35ClN2O3S

quiflapon

  • Molecular FormulaC34H35ClN2O3S
  • Average mass587.171 Da
  • Monoisotopic mass586.205688 Da
  • ChemSpider ID54894

More details:

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

1-((4-Chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-a,a-dimethyl-5-(2-quinolinylmethoxy)-1H-indole-2-propanoic Acid
136668-42-3 [RN]
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)- [ACD/Index Name]
3-(tert-Butylthio)-1-(p-chlorobenzyl)-a,a-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic Acid
3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-[3-(tert-Butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-[(quinolin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
3-{5-(2-Chinolinylmethoxy)-1-(4-chlorbenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-1H-indol-2-yl}-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
Acide 3-[1-(4-chlorobenzyl)-3-[(2-méthyl-2-propanyl)sulfanyl]-5-(2-quinoléinylméthoxy)-1H-indol-2-yl]-2,2-diméthylpropanoïque [French] [ACD/IUPAC Name]
MK-0591
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7327 [DBID]
9295C885I4 [DBID]
MK 0591 [DBID]
UNII:9295C885I4 [DBID]
UNII-9295C885I4 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      FLAP MedChem Express HY-10037
      Immunology/Inflammation MedChem Express HY-10037
      Immunology/Inflammation; MedChem Express HY-10037
      MK-0591 is a selective and specific 5-Lipoxygenase-activating protein (FLAP) inhibitor with an IC50 value of 1.6 nM in a FLAP binding assay. MedChem Express http://www.medchemexpress.com/MK-0591.html, HY-10037
      MK-0591 is a selective and specific 5-Lipoxygenase-activating protein (FLAP) inhibitor with an IC50 value of 1.6 nM in a FLAP binding assay. ;IC50 value: 1.6 nM [1];Target: FLAP;In vitro: MK-0591 is a potent inhibitor of leukotriene (LT) biosynthesis in intact human and elicited rat polymorphonuclear leukocytes (PMNLs) (IC50 values 3.1 and 6.1 nM, respectively) and in human, squirrel monkey, and rat whole blood (IC50 values 510, 69, and 9 nM, respectively). MK-0591 had no effect on rat 5-lipoxygenase. MK-0591 has a high affinity for 5-lipoxygenase activating protein (FLAP) as evidenced by an IC50 value of 1.6 nM in a FLAP binding assay and inhibition of the photoaffinity labelling of FLAP by two different photoaffinity ligands. Inhibition of activation of 5-lipoxygenase was shown through inhibition of the translocation of the enzyme from the cytosol to the membrane in human PMNLs [1].;In vivo: MK-0591 was a potent inhibitor of LT biosynthesis in vivo, first, following ex vivo chal MedChem Express HY-10037

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 169.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 44779.05
ACD/KOC (pH 5.5): 42081.59
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 724.19
ACD/KOC (pH 7.4): 680.56
Polar Surface Area: 90 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 483.2±7.0 cm3

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