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Probucol dithiobisphenol

CAT: 0931-T205216-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T205216-02Size:50 mg
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CAS Number
6386-58-9
Target
ROS
Related Pathways
Immunology/Inflammation
Bioactivity
Probucoldithiobisphenol (DTBP) is a derivative of Probucol. It stimulates the production of heme oxygenase 1 (HO-1) and exhibits antioxidant properties. In the Apoe−/− mouse model, Probucol dithiobisphenol reduces aortic atherosclerotic lesions, and in a rabbit arterial injury model, it promotes arterial re-endothelialization and suppresses restenosis. This compound is orally active.
Smiles
OC=1C(=CC(SSC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C)=CC1C(C)(C)C)C(C)(C)C
Molecular Formula
C28H42O2S2
Molecular Weight
474.762
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-(Disulfanediyl)bis(2,6-DI-tert-butylphenol
CAS Number6386-58-9
PubChem CID1575463
IUPAC Name2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)disulfanyl]phenol
Molecular FormulaC28H42O2S2
Molecular Weight474.8
XLogP10
Topological Polar Surface Area91.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity503
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C28H42O2S2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)31-32-18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
InChIKey
NEUPRVAMTYHIQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-(Disulfanediyl)bis(2,6-DI-tert-butylphenol
CAS: 6386-58-9
CID: 1575463
Formula: C28H42O2S2
MW: 474.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.8
XLogP310
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass474.26262293
Monoisotopic Mass474.26262293
Topological Polar Surface Area91.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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