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

CAS: 1184986-45-5 Cat. No.: G651270 Fórmula: C₁₅H₁₆D₆O₃ Peso molecular: 256.37

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

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.

Specifications

Sinónimos

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

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Nombres e identificadores

Sonrisas canónicas

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O

IUPAC Name

5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid

InChIKey

HEMJJKBWTPKOJG-LIJFRPJRSA-N

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

Isómeros SMILES

[2H]C([2H])([2H])C(CCCOC1=C(C=CC(=C1)C)C)(C(=O)O)C([2H])([2H])[2H]

Peso molecular

256.37

Reaxy-Rn

1881200

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1881200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 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

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1184986-45-5, the molecular formula is C15H16D6O3, and the molecular weight is 256.37 g/mol. InChIKey HEMJJKBWTPKOJG-LIJFRPJRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.