15(S)-HpETE - Moligand™, ≥95%, ~100 µg/mL in ethanol , CAS No.70981-96-3

CAS: 70981-96-3 Cat. No.: H275088 Molecular Weight: 336.47 EC Number: 633-223-2

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

Synonyms

15-HYDROPEROXYEICOSATETRAENOIC ACID, (5Z,8Z,11Z,13E,15S)- | DTXSID301318203 | 15(S)-HpETE Lipid Maps(R) MS Standard | SCHEMBL4329512 | BDBM50025742 | NCGC00161251-02 | UNII-7BN3O939P6 | (5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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.

Specifications

Synonyms

15-HYDROPEROXYEICOSATETRAENOIC ACID, (5Z, 8Z, 11Z, 13E, 15S)- | DTXSID301318203 | 15(S)-HpETE Lipid Maps(R) MS Standard | SCHEMBL4329512 | BDBM50025742 | NCGC00161251-02 | UNII-7BN3O939P6 | (5Z, 8Z, 11Z, 13E)-(15S)-15-Hydroperoxyicosa-5, 8, 11, 13-tetraenoic acid |

Specifications & Purity

Moligand™, ≥95%, ~100 µg/mL in ethanol

Biochemical and Physiological Mechanisms

Prostacyclin synthase inhibitor. In vivo and in vitro use. Lipoxygenase pathway. Inhibits platelet aggregation.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

ACTIVATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -80°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)OO
• IUPAC Name: (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
• InChIKey: BFWYTORDSFIVKP-VAEKSGALSA-N
• INCHI: 1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
• Molecular Weight: 336.47
• Reaxy-Rn: 19243370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19243370&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: Hydroperoxyeicosatetraenoic acids
• Alternative Parents: Long-chain fatty acids Hydroperoxy fatty acids Unsaturated fatty acids Allylic hydroperoxides Peroxols Monocarboxylic acids and derivatives Carboxylic acids Alkyl hydroperoxides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroperoxyeicosatetraenoic acid - Long-chain fatty acid - Hydroperoxy fatty acid - Fatty acid - Unsaturated fatty acid - Allylic hydroperoxide - Hydroperoxide - Carboxylic acid derivative - Alkyl hydroperoxide - Carboxylic acid - Peroxol - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroperoxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroperoxyl 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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSTK1 Tchem Glutathione S-transferase kappa 1 (56 Activities)

Discover Target: GSTK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 336.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 336.23 Da
• Monoisotopic Mass: 336.23 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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