ChemSpider 2D Image | Probucol | C31H48O2S2

Probucol

  • Molecular FormulaC31H48O2S2
  • Average mass516.842 Da
  • Monoisotopic mass516.309570 Da
  • ChemSpider ID4743

More details:



Featured data source



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

23288-49-5 [RN]
245-560-9 [EINECS]
2928
4,4'-(2,2-Propandiyldisulfandiyl)bis[2,6-bis(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]
4,4'-(2,2-Propanediyldisulfanediyl)bis[2,6-bis(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]
4,4'-(2,2-Propanediyldisulfanediyl)bis[2,6-bis(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]
4,4'-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol]
4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)
4,4'-[(1-Methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol]
Acetone Bis(3,5-di-tert-butyl-4-hydroxyphenyl)mercaptole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS027579 [DBID]
AIDS-027579 [DBID]
BRN 2026253 [DBID]
C07373 [DBID]
CCRIS 7510 [DBID]
D00476 [DBID]
DE-3872 [DBID]
DH 581 [DBID]
DH-581 [DBID]
DivK1c_000599 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      C10AX02 Wikidata Q10354103
    • Target Organs:

      Lipid TargetMol T0254
    • Chemical Class:

      A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. ChEBI CHEBI:8427
    • Compound Source:

      synthetic Microsource [01501109]
    • Bio Activity:

      Antioxidant, anti-inflammatory and hypocholesterolemic agent Tocris Bioscience 2775
      Antioxidant, anti-inflammatory and hypocholesterolemic agent. Inhibits atherogenesis in genetically hypercholesterolemic rabbits (Watanabe) and attenuates ischemia/reperfusion-induced cardiomyocyte ap optosis. Tocris Bioscience 2775
      Antioxidant, anti-inflammatory and hypocholesterolemic agent. Inhibits atherogenesis in genetically hypercholesterolemic rabbits (Watanabe) and attenuates ischemia/reperfusion-induced cardiomyocyte apoptosis. Tocris Bioscience 2775
      Antioxidants Tocris Bioscience 2775
      CES1;ABCA1 TargetMol T0254
      Metabolism TargetMol T0254
      Other Pharmacology Tocris Bioscience 2775
      Others MedChem Express HY-B0388
      Probucol is an anti-hyperlipidemic drug by lowering the level of cholesterol in the bloodstream by increasing the rate of LDL catabolism. MedChem Express
      Probucol is an anti-hyperlipidemic drug by lowering the level of cholesterol in the bloodstream by increasing the rate of LDL catabolism.; Target: Others; Probucol is a drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. MedChem Express HY-B0388
      Probucol is an anti-hyperlipidemic drug by lowering the level of cholesterol in the bloodstream by increasing the rate of LDL catabolism.;Target: Probucol is a drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. Probucol inhibited cholesterol efflux up to 80% in J774 macrophages expressing ABCA1. probucol is an effective inhibitor of ABCA1-mediated cholesterol efflux without influencing scavenger receptor class B type I-mediated efflux. The inhibition of ABCA1 translocation to the plasma membrane may in part explain the reported in vivo high-density lipoprotein-lowering action of probucol [1]. MedChem Express HY-B0388
  • Gas Chromatography

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 264.9±28.8 °C
Index of Refraction: 1.574
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.27
ACD/LogD (pH 5.5): 10.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6826243.50
ACD/LogD (pH 7.4): 10.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6817091.00
Polar Surface Area: 91 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 480.5±5.0 cm3

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