Etofibrate - 10mM in DMSO , CAS No.31637-97-5

CAS: 31637-97-5 Cat. No.: E580390 Formula: C₁₈H₁₈ClNO₅ Peso molecolare: 363.79 Numero EC: 250-743-1

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

2-(2-(4-chlorophenoxy)-2-methylpropanoyloxy)ethyl nicotinate | DTXSID80185521 | SW219681-1 | 2-(p-Chlorophenoxy)-2-methylpropionic acid 2-(nicotinoyloxy)ethyl ester | SCHEMBL3122 | AS-16847 | Etofibrate [INN] | 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Product Description
Etofibrate (EF) is an ethylene glycol diester of clofibric and nicotinic acids. It is a cholesterol-lowering drug prescribed for treating hyperlipidaemias.

Product Application
Etofibrate may be used as an analytical reference standard for the determination of the analyte in plasma samples, pharmaceutical formulations, and environmental samples by analytical methods.

Specifiche

Sinonimi

2-(2-(4-chlorophenoxy)-2-methylpropanoyloxy)ethyl nicotinate | DTXSID80185521 | SW219681-1 | 2-(p-Chlorophenoxy)-2-methylpropionic acid 2-(nicotinoyloxy)ethyl ester | SCHEMBL3122 | AS-16847 | Etofibrate [INN] | 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl

IUPAC Name

2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate

InChIKey

XXRVYAFBUDSLJX-UHFFFAOYSA-N

INCHI

1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3

Isomeri SMILES

CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl

Peso molecolare

363.79

Reaxy-Rn

497931

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=497931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxyacetate - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive
• Peso molecolare: 363.800 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 363.087 Da
• Monoisotopic Mass: 363.087 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 449.000
• Isotope Atom Count: 0
• 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