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 분자식: C₂₀H₃₂O₃ 분자량: 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

개요

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

동의어

(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

사양 및 순도

Moligand™, ≥98%, 100μg/mL in ethanol

생화학 및 생리적 메커니즘

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

보관 조건

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

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of BLT 2 receptor;Agonist of GPR31

순수함

≥98%

제품 특성

pKa

pKa: 4.75

이름과 식별자

Pubchem Sid

504763456

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763456

정식 스마일

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

이성체 SMILES

CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O

WGK 독일

1

대체 CAS

54397-83-0

MeSH 용어

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

분자량

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
    • 분류 Fatty Acyls
      • Subclass Eicosanoids

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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO, ethanol (1 mg/ml), DMF, PBS (pH 7.2) (~0.8 mg/ml), and 0.1M Na2CO3 (2 mg/ml).
• 감도: Air sensitive;light sensitive
• 굴절률: n20D1.51
• 끓는점(°C): 78° C
• 분자량: 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