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 EC: 688-204-1

CALIDAD & 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

Especificaciones

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

Especificaciones y pureza

Moligand™, ≥98%, 100μg/mL in ethanol

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

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%

Nombres e identificadores

Pubchem Sid

528754866

Sonrisas canónicas

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

Isómeros SMILES

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

CAS alternativo

54845-95-3

Número ONU

1170

Grupo de embalaje

II

Términos 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
    • Clase Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (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

Objetivos asociados (no 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 acción

Propiedades químicas y 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