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Gemcabene

CAT: 0804-HY-109567-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-109567-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gemcabene (PD-72953), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive protein (CRP), exerting anti-inflammatory activity[1][2][3].
CAS Number
183293-82-5
Product Name Alternative
PD-72953
UNSPSC
12352211
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/gemcabene.html
Purity
99.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)C(C)(C)CCCCOCCCCC(C)(C)C(O)=O
Molecular Formula
C16H30O5
Molecular Weight
302.41
References & Citations
[1]Mandema JW, et al. Model-based development of gemcabene, a new lipid-altering agent. AAPS J. 2005 Oct 7;7 (3) :E513-22.|[2]Srivastava RAK, et al. Gemcabene, a First-in-Class Hypolipidemic Small Molecule in Clinical Development, Attenuates Osteoarthritis and Pain in Animal Models of Arthritis and Pain. Front Pharmacol. 2018 May 11;9:471.|[3]Oniciu DC, et al. Gemcabene downregulates inflammatory, lipid-altering and cell-signaling genes in the STAM™ model of NASH. PLoS One. 2018 May 30;13 (5) :e0194568.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Gemcabene

Gemcabene is a new drug that lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C).

CAS Number183293-82-5
PubChem CID157692
IUPAC Name6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid
Molecular FormulaC16H30O5
Molecular Weight302.41
XLogP3.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count21
Formal Charge0
Complexity302
SMILES
CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O
InChI
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
Chemical Structure
2D Structure
2D structure of Gemcabene
CAS: 183293-82-5
CID: 157692
Formula: C16H30O5
MW: 302.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.41
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass302.20932405
Monoisotopic Mass302.20932405
Topological Polar Surface Area83.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity302
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