(±)12-HETE - Moligand™,≥95%,100 μg/ml in ethanol , CAS No.71030-37-0

CAS: 71030-37-0 Cat. No.: H345928 Peso molecular: 320.47

GRADE & PURITY Moligand™, ≥95%, 100 μg/ml in ethanol

Synonyms

12-Hete | 5,8,10,14-Eicosatetraenoicacid, 12-hydroxy-, (5Z,8Z,10E,14Z)- | CHEBI:84447 | (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid | 12-Hete, (+/-)- | LMFA03060088 | SR-01000946924 | Q6F9H3VPC0 | SCHEMBL7718635 | 5,8,10,14-Eicosatetraenoicacid,12-hydr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

(±)12-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid. The biological activity of (±)12-HETE is similar to that of its constituent enantiomers. It aggregates neutrophils with an EC50 value of 40 nM.

Specifications

Sinónimos

12-Hete | 5, 8, 10, 14-Eicosatetraenoicacid, 12-hydroxy-, (5Z, 8Z, 10E, 14Z)- | CHEBI:84447 | (5Z, 8Z, 10E, 14Z)-12-hydroxyicosatetraenoic acid | 12-Hete, (+/-)- | LMFA03060088 | SR-01000946924 | Q6F9H3VPC0 | SCHEMBL7718635 | 5, 8, 10, 14-Eicosatetraenoicacid, 12-hydr

Especificaciones y pureza

Moligand™, ≥95%, 100 μg/ml in ethanol

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
• IUPAC Name: (5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
• InChIKey: ZNHVWPKMFKADKW-VXBMJZGYSA-N
• INCHI: 1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
• Isómeros SMILES: CCCCC/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)O
• Peso molecular: 320.47
• Reaxy-Rn: 29757821
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29757821&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyeicosatetraenoic acids
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxyeicosatetraenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds.
• External Descriptors: Hydroxy/hydroperoxyeicosatetraenoic 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (~50 mg/ml), DMF (~50 mg/ml), ethanol, water (0.8 mg/ml at 25.0° C), and PBS PH 7.2.
• Sensibilidad: Air sensitive;Light sensitive
• Índice de refracción: n20D1.51 (Predicted)
• Punto de ebullición (°C): 78° C
• Peso molecular: 320.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 320.235 Da
• Monoisotopic Mass: 320.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1