Probucol

Category	Virus Protease
CAS	23288-49-5
Description	Enhances selective uptake of HDL-associated cholesteryl esters.

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Synonyms	Lorelco
IUPAC Name	2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
Molecular Weight	516.84
Molecular Formula	C31H48O2S2
Canonical SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI	InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChIKey	FYPMFJGVHOHGLL-UHFFFAOYSA-N
Boiling Point	546.7±50.0 °C at 760 mmHg
Melting Point	117 118°C
Flash Point	264.9±28.8 °C
Purity	>98%
Density	1.1±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	White to off-white (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	583
Exact Mass	516.30957312
Index Of Refraction	1.574
In Vitro	Probucol (DH-581) is a drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. Probucol (DH-581) inhibited cholesterol efflux up to 80% in J774 macrophages expressing ABCA1. Probucol (DH-581) 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.
PSA	91.06000
Target	Virus Protease
Vapor Pressure	0.0±1.5 mmHg at 25°C
XLogP3-AA	11.3