5-OxoETE - Moligand™, ≥95%, 100μg/ml in ethanol , Agonist of OXE receptor, CAS No.106154-18-1, Agonist of OXE receptor

CAS: 106154-18-1 Cat. No.: O275056 Molecular Weight: 318.45

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

Synonyms

HMS1361I15 | SR-01000946916 | 5-oxo-6,8,11,14-eicosatetraenoate | CHEBI:52449 | 5-Keto-6,8,11,14-eicosatetraenoic acid | 5-keto-ETE | GTPL3416 | 6,8,11,14-Eicosatetraenoicacid,5-oxo-,(6E,8Z,11Z,14Z)- | [3H]-5-oxo-ETE | [3H]5-oxo-ETE | 5-Kete | BSPBio_0014

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

HMS1361I15 | SR-01000946916 | 5-oxo-6, 8, 11, 14-eicosatetraenoate | CHEBI:52449 | 5-Keto-6, 8, 11, 14-eicosatetraenoic acid | 5-keto-ETE | GTPL3416 | 6, 8, 11, 14-Eicosatetraenoicacid, 5-oxo-, (6E, 8Z, 11Z, 14Z)- | [3H]-5-oxo-ETE | [3H]5-oxo-ETE | 5-Kete | BSPBio_0014

Specifications & Purity

Moligand™, ≥95%, 100μg/ml in ethanol

Biochemical and Physiological Mechanisms

Potent oxoeicosanoid (OXE) receptor agonist (EC 50 = 0.33 nM). Potent chemoattractant for neutrophils and eosinophils. Induces a variety of rapid responses in neutrophils and eosinophils, including calcium mobilization, actin polymerization, CD11b express

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

AGONIST

Mechanism of action

Agonist of OXE receptor

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=CCC=CCC=CC=CC(=O)CCCC(=O)O
• IUPAC Name: (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
• InChIKey: MEASLHGILYBXFO-XTDASVJISA-N
• INCHI: 1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
• Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O
• Alternate CAS: 126432-17-5,106154-18-1
• MeSH Entry Terms: 5-oxo-eicosatetraenoic acid;5-oxo-ETE
• Molecular Weight: 318.45
• Reaxy-Rn: 8427516
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8427516&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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)

OXER1 Tchem Oxoeicosanoid receptor 1 (4 Activities)

Discover Target: OXER1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMF: Miscible；DMSO: Miscible；Ethanol: Miscible；PBS pH 7.2: 0.8 mg/ml
• Molecular Weight: 318.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 318.219 Da
• Monoisotopic Mass: 318.219 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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