3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid - ≥98% , CAS No.86879-39-2

CAS: 86879-39-2 Cat. No.: C335807 Peso molecular: 240.25

GRADE & PURITY ≥98%

Synonyms

CMPF | 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid, analytical standard | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | CMPF | 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | 2-FURANPROPIONIC ACID, 3-CARBOXY-4-METHYL-5-PROPYL- | AKOS030255099 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

CMPF is an endogenous metabolite of furan fatty acids, naturally found in phospholipids, that is highly albumin-bound. CMPF functions to inhibit cellular transport and subsequent deiodination of thyroxine (T4). In addition, CMPF functions by displacing competitive T4 molecules from indirectly binding to albumin. It is believed that CMPF inhibits this binding by increasing the serum concentration of competitive binding molecules such as free fatty acids. Furthermore, CMPF is an organophosphate BChE (cholinesterase) inhibitor.

Application：

CMPF is a drug-binding inhibitor which is also a constituent of urine. CMPF can inhibit specific T4 binding in serum by increasing the free concentration of direct competitors.

Specifications

Sinónimos

CMPF | 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid, analytical standard | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | CMPF | 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | 2-FURANPROPIONIC ACID, 3-CARBOXY-4-METHYL-5-PROPYL- | AKOS030255099 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

• pKa: pKa: 4.38 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C
• IUPAC Name: 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
• InChIKey: WMCQWXZMVIETAO-UHFFFAOYSA-N
• INCHI: 1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
• Isómeros SMILES: CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C
• Peso molecular: 240.25
• Reaxy-Rn: 8151669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8151669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Level5 Heterocyclic fatty acids
          • Level6 Furanoid fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Heterocyclic fatty acids
• Direct Parent: Furanoid fatty acids
• Alternative Parents: Furoic acids Furan-3-carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furanoid fatty acid - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Furoic acid - Dicarboxylic acid or derivatives - Furan - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.
• External Descriptors: Heterocyclic fatty acids

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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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (~30 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), ethanol : PBS (pH 7.2) 1:1 (~0.5 mg/ml), and water (0.5 mg/ml at 25° C).
• Índice de refracción: n20D1.53 (Predicted)
• Punto de ebullición (°C): ~400.83° C (Predicted)
• Punto de fusión (°C): ~166.27° C (Predicted)
• Peso molecular: 240.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 240.1 Da
• Monoisotopic Mass: 240.1 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 289.000
• 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