5(S),15(S)-DiHETE - ≥98%, A solution in ethanol , CAS No.82200-87-1

CAS: 82200-87-1 Cat. No.: D336032 Molecular Weight: 336.47

GRADE & PURITY ≥98%, A solution in ethanol

Synonyms

(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosatetraenoic acid | 5(S),15(S)-Dihydroxy-6,13-trans-8,11-cis-eicosatetraenoic acid | 6,8,11,13-Eicosatetraenoic acid, 5,15-dihydroxy-, (5S,6E,8Z,11Z,13E,15S)- | SR-01000946935-1 | (5S,6E,8Z,11Z,13E,15S)-5,15-dihydro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5(S),15(S)-DiHETE is biosynthesised in human eosinophils. It has shown to enhance neutrophil degranulation and serve as a potent chemotaxin for human eosinophils

5(S),15(S)-DiHETE is supplied as a solution in ethanol.To change the solvent, simply evaporate the ethanol under a gentle stream of nitrogen and immediately add the solvent of choice. Solvents such as DMSO and dimethyl formamide purged with an inert gas can be used. The solubility of 5(S),15(S)-DiHETE in these solvents is approximately 50 mg/ml.

5(S),15(S)-DiHETE is sparingly soluble in aqueous buffers. For maximum solubility in aqueous buffers, the ethanolic solution of 5(S).15(S)-DiHETE should be diluted with the aqueous buffer of choice. The solubility of 5(S),15(S)-DiHETE in PBS (pH 7.2) is approximately 1 mg/ml. We do not recommend storing the aqueous solution for more than one day.

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Specifications

Synonyms

(5S, 6E, 8Z, 11Z, 13E, 15S)-5, 15-dihydroxyicosatetraenoic acid | 5(S), 15(S)-Dihydroxy-6, 13-trans-8, 11-cis-eicosatetraenoic acid | 6, 8, 11, 13-Eicosatetraenoic acid, 5, 15-dihydroxy-, (5S, 6E, 8Z, 11Z, 13E, 15S)- | SR-01000946935-1 | (5S, 6E, 8Z, 11Z, 13E, 15S)-5, 15-dihydro

Specifications & Purity

≥98%, A solution in ethanol

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC(C=CC=CCC=CC=CC(CCCC(=O)O)O)O
• IUPAC Name: (5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
• InChIKey: UXGXCGPWGSUMNI-BVHTXILBSA-N
• INCHI: 1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O)O
• Molecular Weight: 336.47
• Reaxy-Rn: 50462418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50462418&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Soluble in ethanol, water (>1 mg/ml) at 25° C, DMSO (~50 mg/ml), DMF (~50 mg/ml), and PBS pH 7.2 (~1 mg/ml).
• Sensitivity: Air sensitive;Light sensitive
• Refractive Index: n20D1.53
• Boil Point(°C): 78° C
• Molecular Weight: 336.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 336.23 Da
• Monoisotopic Mass: 336.23 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1