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Gemfibrozil-d6 , CAS No.1184986-45-5

In stock
Item Number
G651270
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G651270-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$200.90

Basic Description

Synonyms AKOS025310159 | 25812-30-0 unlabeled | DTXSID601028063 | F90925 | Decrelip-d6 | Gemfibrozil D6 | Lopid-d6 | 5-(2,5-dimethylphenoxy)-2,2-di(?H?)methylpentanoic acid | Gemfibrozil-d6 | HY-B0258S | 1184986-45-5 | 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriome
Biochemical and Physiological Mechanisms Gemfibrozil-d 6 is the deuterium labeled Gemfibrozil. Gemfibrozil is an activator of PPAR-α, used as a lipid-lowering agent; Gemfibrozil is also a nonselective inhibitor of several P450 isoforms, with Ki values for CYP2C9, 2C19, 2C8, and 1A2 of 5.8, 24, 6
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Gemfibrozil-d 6 is the deuterium labeled Gemfibrozil. Gemfibrozil is an activator of PPAR-α, used as a lipid-lowering agent; Gemfibrozil is also a nonselective inhibitor of several P450 isoforms, with Ki values for CYP2C9, 2C19, 2C8, and 1A2 of 5.8, 24, 69, and 82 μM, respectively.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Phenol ethers
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Phenol ethers
Alternative Parents p-Xylenes  Phenoxy compounds  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available

Names and Identifiers

IUPAC Name 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid
INCHI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)/i3D3,4D3
InChIKey HEMJJKBWTPKOJG-LIJFRPJRSA-N
Smiles CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
Isomeric SMILES [2H]C([2H])([2H])C(CCCOC1=C(C=CC(=C1)C)C)(C(=O)O)C([2H])([2H])[2H]
Molecular Weight 256.37
Reaxy-Rn 1881200
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1881200&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 256.370 g/mol
XLogP3 3.800
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 256.195 Da
Monoisotopic Mass 256.195 Da
Topological Polar Surface Area 46.500 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 273.000
Isotope Atom Count 6
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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