ChemSpider 2D Image | fiboflapon | C38H43N3O4S

fiboflapon

  • Molecular FormulaC38H43N3O4S
  • Average mass637.831 Da
  • Monoisotopic mass637.297424 Da
  • ChemSpider ID25069707

More details:

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

1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-α,α-dimethyl-5-[(5-methyl-2-pyridinyl)methoxy]- [ACD/Index Name]
3-[(1,1-dimethylethyl)thio]-1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-á,á-dimethyl-5-[(5-methyl-2-pyridinyl)methoxy]-1H-Indole-2-propanoic acid
3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
3-{1-[4-(6-Ethoxy-3-pyridinyl)benzyl]-3-[(2-methyl-2-propanyl)sulfanyl]-5-[(5-methyl-2-pyridinyl)methoxy]-1H-indol-2-yl}-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-{1-[4-(6-Ethoxy-3-pyridinyl)benzyl]-3-[(2-methyl-2-propanyl)sulfanyl]-5-[(5-methyl-2-pyridinyl)methoxy]-1H-indol-2-yl}-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
3-{3-[(1,1-dimethylethyl)sulfanyl]-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl}-2,2-dimethylpropanoic acid
936350-00-4 [RN]
Acide 3-{1-[4-(6-éthoxy-3-pyridinyl)benzyl]-3-[(2-méthyl-2-propanyl)sulfanyl]-5-[(5-méthyl-2-pyridinyl)méthoxy]-1H-indol-2-yl}-2,2-diméthylpropanoïque [French] [ACD/IUPAC Name]
fiboflapon [INN] [USAN]
fiboflapon [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9448 [DBID]
GSK2190915B [DBID]
AM-803 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      FLAP MedChem Express HY-15874
      GSK2190915(AM-803; Fiboflapon) is a potent FLAP(5-Lipoxygenase-activating protein) inhibitor with binding IC50 of 2.9 nM. MedChem Express
      GSK2190915(AM-803; Fiboflapon) is a potent FLAP(5-Lipoxygenase-activating protein) inhibitor with binding IC50 of 2.9 nM.; IC50 value: 76 nM (inhibition of LTB4 in human blood 5 h incubation) [1]; Target: FLAP inhibitor; GSK2190915 exhibits excellent preclinical toxicology and pharmacokinetics in rat and dog. MedChem Express HY-15874
      GSK2190915(AM-803; Fiboflapon) is a potent FLAP(5-Lipoxygenase-activating protein) inhibitor with binding IC50 of 2.9 nM.;IC50 value: 76 nM (inhibition of LTB4 in human blood 5 h incubation) [1];Target: FLAP inhibitorGSK2190915 exhibits excellent preclinical toxicology and pharmacokinetics in rat and dog. GSK2190915 also demonstrated an extended pharmacodynamic effect in a rodent bronchoalveolar lavage (BAL) model [1]. Oral administration of AM803 (1 mg/kg) resulted in sustained inhibition of ex vivo ionophore-challenged whole blood LTB4 biosynthesis with >90% inhibition for up to 12 h and an EC50 of approximately 7 nM. When rat lungs were challenged in vivo with calcium-ionophore, AM803 inhibited LTB4 and cysteinyl leukotriene (CysLT) production with ED50s of 0.12 mg/kg and 0.37 mg/kg, respectively. The inhibition measured 16 h following a single oral dose of 3 mg/kg was 86% and 41% for LTB4 and CysLTs, respectively. In an acute inflammation setting, AM803 dose-dependently reduce MedChem Express HY-15874
      Immunology/Inflammation MedChem Express HY-15874
      Immunology/Inflammation; MedChem Express HY-15874

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 187.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 73798.77
ACD/KOC (pH 5.5): 59043.95
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 1265.41
ACD/KOC (pH 7.4): 1012.41
Polar Surface Area: 112 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 547.4±7.0 cm3

Click to predict properties on the Chemicalize site


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