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 분자식: C₂₀H₄₀NO₅P 분자량: 405.51 PubChem CID: 44343825

등급 & 순도 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

개요

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

사양

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

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

순수함

≥98%

이름과 식별자

Pubchem Sid

508810992

정식 스마일

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-

이성체 SMILES

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

WGK 독일

3

PubChem CID

44343825

분자량

405.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO:soluble 28 mg/mL;H2O:soluble
• 녹는점(°C): 75.8-84.0° C
• 분자량: 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