ChemicalBook--->CAS DataBase List--->216167-82-7

216167-82-7

216167-82-7 Structure

216167-82-7 Structure
IdentificationBack Directory
[Name]

4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid
[CAS]

216167-82-7
[Synonyms]

AGZ-1067
AGI 1067
SUCCINOBUCOL
SUCCINOBUCOL, >98%
Succinobucol(AGI 1067)
Probucol Monosuccinate
Probucol monosuccinate, >98%
AGZ1067. Probucol monosuccinae
AGI-1067;PROBUCOL MONOSUCCINATE
SUCCINOBUCOL; AGI-1067; AGZ-1067; AGI1067; AGZ1067. PROBUCOL MONOSUCCINAE
4-(2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenoxy)-4-oxobutanoic acid
Butanedioic Acid 1-[4-[[1-[[3,5-Bis(1,1-diMethylethyl)-4-hydroxyphenyl]thio]-1-Methylethyl]thio]-2,6-bis(1,1-diMethylethyl)phenyl] Ester
[Molecular Formula]

C35H52O5S2
[MDL Number]

MFCD08690469
[MOL File]

216167-82-7.mol
[Molecular Weight]

616.91
Chemical PropertiesBack Directory
[Melting point ]

139 - 142°C
[Boiling point ]

659.5±55.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.27±0.17(Predicted)
[color ]

White to Light Yellow
[InChIKey]

RKSMVPNZHBRNNS-UHFFFAOYSA-N
[SMILES]

OC1=C(C(C)(C)C)C=C(SC(C)(C)SC2=CC(C(C)(C)C)=C(OC(CCC(O)=O)=O)C(C(C)(C)C)=C2)C=C1C(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

An antioxidant and anti-inflammatory.
[Definition]

ChEBI: Succinobucol is a benzoate ester and a member of phenols.
[Biological Activity]

Succinobucol is a metabolically stable derivative of the antioxidant drug probucol th at poses a distinct pharmacological from. Succinobucol is an orally active vascular protectant th at exhibits antiatherosclerotic properties in multiple animal models and in humans. It inhibits the release of proinflammatory cytokinesTNF-aIL-1band IL-6 in hPBMC activated by LPS.
[in vivo]

Succinobucol (50, 100, and 150 mg/kg, i.v.) has no significant effect on either heart rate or MAP, but the blood removed 15 minutes after the final injection of succinobucol shows significantly less aggregation in response to collagen at both 5 μg/mL and 20 μg/mL in rats[1]. Succinobucol (40 mg/kg) by tail injection significantly reduces the average number of metastatic nodules in lung metastatic breast cancer mice[3].

[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid(216167-82-7)1HNMR
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