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 Molecular Weight: 405.51 PubChem CID: 44343825

GRADE & PURITY Moligand™, ≥98%

Synonyms

J-015527 | N-oleoylethanolamine phosphate | (Z)-2-Oleamidoethyl dihydrogen phosphate | BDBM50074700 | HY-128127 | SCHEMBL13109914 | AKOS032946464 | (Z)-2-Oleamidoethyldihydrogenphosphate | 2-[(9Z)-octadec-9-enoylamino]ethyl dihydrogen phosphate | NAEPA |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

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

Specifications

Synonyms

J-015527 | N-oleoylethanolamine phosphate | (Z)-2-Oleamidoethyl dihydrogen phosphate | BDBM50074700 | HY-128127 | SCHEMBL13109914 | AKOS032946464 | (Z)-2-Oleamidoethyldihydrogenphosphate | 2-[(9Z)-octadec-9-enoylamino]ethyl dihydrogen phosphate | NAEPA |

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O
• WGK Germany: 3
• PubChem CID: 44343825
• Molecular Weight: 405.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO:soluble 28 mg/mL;H2O:soluble
• Melt Point(°C): 75.8-84.0° C
• Molecular Weight: 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