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183293-82-5

183293-82-5 Structure

183293-82-5 Structure
IdentificationBack Directory
[Name]

6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid
[CAS]

183293-82-5
[Synonyms]

PD-72953
gemcabene
Hexanoic acid, 6,6'-oxybis[2,2-dimethyl-
6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid
6-(5-carboxy-5-methyl-hexyloxy)-2,2-dimethyl-hexanoic acid
[Molecular Formula]

C16H30O5
[MDL Number]

MFCD00951832
[MOL File]

183293-82-5.mol
[Molecular Weight]

302.41
Chemical PropertiesBack Directory
[Melting point ]

49-51 °C
[Boiling point ]

453.6±30.0 °C(Predicted)
[density ]

1.048±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: ≥ 125 mg/mL (413.35 mM)
[form ]

Solid
[pka]

4.52±0.45(Predicted)
[color ]

White to off-white
[InChI]

1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
[InChIKey]

SDMBRCRVFFHJKR-UHFFFAOYSA-N
[SMILES]

O=C(O)C(CCCCOCCCCC(C(O)=O)(C)C)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Atherosclerosis therapy; treatment of lipoprotein disorders.
[Biological Activity]

Gemcabene is an orally available lipid-regulating compound th at induces both a cholesterol and triglyceride reduction by a mechanism of action not linked to agonist or antagonist activity on the PPAR-α receptors. Gemcabene down-regulates apoC-III expression. Gemcabene is primarily metabolized (glucuronidation) by UDP-glucuronosyltransferase2B7 (UGT2B7). Thusis often used as a UGT2B7 substrate.
Spectrum DetailBack Directory
[Spectrum Detail]

6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid(183293-82-5)1HNMR
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