12(S)-HETE - Moligand™, ≥98%, 100μg/mL in ethanol , Agonist of BLT 2 receptor;Agonist of GPR31, CAS No.54397-83-0, Agonist of BLT 2 receptor;Agonist of GPR31

CAS: 54397-83-0 Cat. No.: H342782 Formule: C₂₀H₃₂O₃ Poids moléculaire: 320.47 Beilstein Registry Number: 2656104

GRADE & PURITY Moligand™, ≥98%, 100μg/mL in ethanol

Synonyms

(E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (5Z,8Z,10E,12S,14Z)- | NCGC00161240-01 | 12(S)-HETE | SCHEMBL1242004 | 12(S)-hydroxy-5(Z),8(Z),10

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

12(S)-HETE is an arachidonic acid metabolite synthesized in the 12-lipoxygenase pathway in platelets and macrophages. Studies suggest that 12(S)-HETE is a potent stimulator of smooth muscle cell and leukocyte migration. In addition, this metabolite can induce reversible endothelial cell retraction allowing tumor cell access to the subendothelial matrix, which is not activated by 12(R)-HETE . Furthermore, studies show that a potential use of this molecule could be in preferentially attracting eosinophils to tissue reactions associated with platelet activation.

Specifications

Synonymes

(E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (5Z,8Z,10E,12S,14Z)- | NCGC00161240-01 | 12(S)-HETE | SCHEMBL1242004 | 12(S)-hydroxy-5(Z),8(Z),10

Spécifications et pureté

Moligand™, ≥98%, 100μg/mL in ethanol

Mécanismes biochimiques et physiologiques

12(S)-HETE is a bioactive lipid implicated in angiogenesis, growth, and metastasic action in tumor cell lines and in animal models. Arachidonate 12-lipoxygenase (12-LOX) converts arachidonic acid to 12(S)-(HETE). Alteration in 12-LOX expression or activit

Conditions de stockage de stockage

Protected from light,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

AGONIST

Mécanisme d'action

Agonist of BLT 2 receptor;Agonist of GPR31

Pureté

≥98%

Propriétés du produit

• pKa: pKa: 4.75

Noms et identifiants

• Pubchem Sid: 504763456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763456
• Sourires canoniques: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
• IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
• InChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-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+/t19-/m0/s1
• Isomères SMILES: CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O
• WGK Allemagne: 1
• CAS alternatif: 54397-83-0
• Termes d'entrée MeSH: 12 S Hydroxyeicosatetraenoic Acid;12-HETE;12-Hydroxy-5,8,10,14-eicosatetraenoic Acid;12-R-HETE;12-S-HETE;12-S-Hydroxyeicosatetraenoic Acid;Acid, 12-S-Hydroxyeicosatetraenoic
• Poids moléculaire: 320.47
• Beilstein: 2656104
• 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

Cibles associées (humaines)

GPR31 Tbio 12-(S)-hydroxy-5,8,10,14-eicosatetraenoic acid receptor (0 Activities)

Discover Target: GPR31

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

LTB4R2 Tchem Leukotriene B4 receptor 2 (0 Activities)

Discover Target: LTB4R2

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

LTB4R2 Tchem Leukotriene B4 receptor 2 (146 Activities)

Discover Target: LTB4R2

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Cibles associées (non humaines)

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, ethanol (1 mg/ml), DMF, PBS (pH 7.2) (~0.8 mg/ml), and 0.1M Na2CO3 (2 mg/ml).
• Sensibilité: Air sensitive;light sensitive
• Indice de réfraction: n20D1.51
• 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: 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