ChemicalBook--->CAS DataBase List--->852948-13-1

852948-13-1

852948-13-1 Structure

852948-13-1 Structure
IdentificationBack Directory
[Name]

Intermediate
[CAS]

852948-13-1
[Synonyms]

VK-2809
MB-07811 ( VK-2809)
4-(3-chlorophenyl)-2-((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)-1,3,2-dioxaphosphinane 2-oxide
(2R,4S)-4-(3-chlorophenyl)-2-((4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)methyl)-1,3,2-dioxaphosphinane 2-oxide
4-[[4-[[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)phenol
Phenol, 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)-
[Molecular Formula]

C28H32ClO5P
[MDL Number]

MFCD18827432
[MOL File]

852948-13-1.mol
[Molecular Weight]

514.98
Chemical PropertiesBack Directory
[Melting point ]

77-82 °C
[Boiling point ]

660.6±55.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[solubility ]

Acetonitrile: Soluble
DMSO: Soluble
[form ]

Solid
[pka]

10.31±0.30(Predicted)
[InChIKey]

LGGPZDRLTDGYSQ-WJVKJDHCSA-N
[SMILES]

O1CC[C@@H](C2=CC=CC(Cl)=C2)O[P@@]1(COC1=CC(C)=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=C1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

MB-07811 (VK-2809) is an orally active HepDirect prodrug of MB07344, a liver-targeted thyroid hormone receptor-β agonist[1]. MB-07811 has cholesterol and triglycerides lowering activity[2].
[in vivo]

MB-07811 (VK-2809) (0.3-30 mg/kg; orally once daily for 14 days) reduces cholesterol and triglycerides in diet-induced obese mice[2].

Animal Model:4-week-old male C57BL/6 mice (diet-induced obese (DIO) mice)[2]
Dosage:0.3 mg/kg, 1 mg/kg, 3 mg/kg, 10 mg/kg, 30 mg/kg
Administration:Orally once daily; 14 days
Result:Reduced total plasma cholesterol, and reduced plasma triglycerides (40%) at the highest doses.
[References]

[1] Cable EE, et al. Reduction of hepatic steatosis in rats and mice after treatment with aliver-targeted thyroidhormone receptor agonist. Hepatology. 2009 Feb;49(2):407-17. DOI:10.1002/hep.22572
[2] Erion MD, et al. Targeting thyroid hormone receptor-beta agonists to the liver reduces cholesterol and triglycerides and improves the therapeutic index. Proc Natl Acad Sci U S A. 2007 Sep 25;104(39):15490-5. DOI:10.1073/pnas.0702759104
Spectrum DetailBack Directory
[Spectrum Detail]

trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane(852948-13-1)1HNMR
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