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

CAS: 71030-37-0 Cat. No.: H345928 Formule: C₂₀H₃₂O₃ Poids moléculaire: 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

Vue d’ensemble

(±)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

Synonymes

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

Spécifications et pureté

Moligand™,≥95%,100 μg/ml in ethanol

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528753468
• Sourires canoniques: 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+
• Isomères SMILES: CCCCC/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)O
• Poids moléculaire: 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
    • Classe Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: 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.
• Sensibilité: Air sensitive;Light sensitive
• Indice de réfraction: n20D1.51 (Predicted)
• Point d'ébullition (°C): 78° C
• Poids moléculaire: 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