NAEPA - Moligand™, ≥98% , Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor, CAS No.24435-25-4, Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor

CAS: 24435-25-4 Cat. No.: N347152 Fórmula: C₂₀H₄₀NO₅P Peso molecular: 405.51 PubChem CID: 44343825

GRAU & PUREZA Moligand™, ≥98%

Synonyms

N-oleoylethanolamine phosphate|(Z)-2-Oleamidoethyl dihydrogen phosphate|(Z)-2-Oleamidoethyldihydrogenphosphate|2-[(9Z)-octadec-9-enoylamino]ethyl dihydrogen phosphate|NAEPA|(Z)-N-[2-(Phosphonooxy)ethyl]-9-octadecenamide|Phosphoric acid mono-[2-((Z)-octadec-9-enoylamino)-ethyl] ester

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

NAEPA is a selective EDG-2 (LPA1) receptor agonist as well as LPA mimetic.

Especificações

Sinónimos

N-oleoylethanolamine phosphate | (Z)-2-Oleamidoethyl dihydrogen phosphate | (Z)-2-Oleamidoethyldihydrogenphosphate | 2-[(9Z)-octadec-9-enoylamino]ethyl dihydrogen phosphate | NAEPA | (Z)-N-[2-(Phosphonooxy)ethyl]-9-octadecenamide | Phosphoric acid mono-[2-((Z)-octadec-9-enoylamino)-ethyl] ester

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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 LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508810992

Sorrisos canónicos

CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O

IUPAC Name

2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate

InChIKey

BCSUWOZFWWBYSX-KTKRTIGZSA-N

INCHI

1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9-

SMILES isoméricas

CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O

WGK Alemanha

3

PubChem CID

44343825

Peso molecular

405.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphoethanolamines
• Alternative Parents: Monoalkyl phosphates N-acyl amines Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoethanolamine - Monoalkyl phosphate - Fatty amide - N-acyl-amine - Alkyl phosphate - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
• External Descriptors: Not available

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)

LPAR3 Tchem Lysophosphatidic acid receptor 3 (1 Activities)

Discover Target: LPAR3

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

LPAR1 Tchem Lysophosphatidic acid receptor 1 (1 Activities)

Discover Target: LPAR1

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

LPAR2 Tchem Lysophosphatidic acid receptor 2 (2 Activities)

Discover Target: LPAR2

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

LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)

Discover Target: LPAR1

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

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)

Discover Target: LPAR2

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

LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)

Discover Target: LPAR3

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO:soluble 28 mg/mL;H2O:soluble
• Ponto de fusão (°C): 75.8-84.0° C
• Peso molecular: 405.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 19
• Exact Mass: 405.264 Da
• Monoisotopic Mass: 405.264 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 423.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1