15(S)-HETE - Moligand™, ≥98%, 100μg/mL in ethanol , Agonist of BLT 2 receptor, CAS No.54845-95-3, Agonist of BLT 2 receptor

CAS: 54845-95-3 Cat. No.: H276042 Fórmula: C₂₀H₃₂O₃ Peso molecular: 320.47 Número CE: 688-204-1

GRAU & PUREZA Moligand™, ≥98%, 100μg/mL in ethanol

Synonyms

HMS1361C19 | Icomucret | (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate | NCGC00161242-03 | 15-Hete | 15(S)-HETE | 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoate | Icomucret (USAN) | (15S,5Z,8Z,11Z,13E)-15-Hydroxyeicosatetraenoic acid | BML1-B09 | (1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

HMS1361C19 | Icomucret | (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate | NCGC00161242-03 | 15-Hete | 15(S)-HETE | 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoate | Icomucret (USAN) | (15S,5Z,8Z,11Z,13E)-15-Hydroxyeicosatetraenoic acid | BML1-B09 | (1

Especificações e pureza

Moligand™, ≥98%, 100μg/mL in ethanol

Mecanismos bioquímicos e fisiológicos

Major arachidonic acid metabolite from the 15-lipoxygenase pathway. Various pharmacological activities in vivo and in vitro .

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of BLT 2 receptor

Nota

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.Packaging quality refers to the amount of solute

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528754866

Sorrisos canónicos

CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O

IUPAC Name

(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid

InChIKey

JSFATNQSLKRBCI-VAEKSGALSA-N

INCHI

1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1

SMILES isoméricas

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

CAS alternativo

54845-95-3

Número UN

1170

Grupo de embalagem

II

Termos de entrada MeSH

15-HETE;15-hydroxy-5,8,11,13-eicosatetraenoic acid;15-hydroxy-5,8,11,13-eicosatetraenoic acid, (S-(E,Z,Z,Z))-isomer

Peso molecular

320.47

Reaxy-Rn

29201510

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29201510&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
• Descrição: 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

Alvos associados (humanos)

LTB4R2 Tchem Leukotriene B4 receptor 2 (1 Activities)

Discover Target: LTB4R2

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

Alvos associados (não humanos)

LOX1.1 Seed lipoxygenase-1 (463 Activities)

Discover Target: LOX1.1

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 320.500 g/mol
• XLogP3: 5.100
• 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