Resolvin E1 Sodium Salt - Moligand™ , Agonist of chemerin receptor 1, CAS No.1309610-43-2, Agonist of chemerin receptor 1

CAS: 1309610-43-2 Cat. No.: R331811 Molecular Weight: 372.43 PubChem CID: 10473088

GRADE & PURITY Moligand™

Synonyms

(5S,12R,18R)-trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoic acid | AKOS040742539 | 5S,12R,18R-trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid | J2.218.407E | UNII-GND3JH08JA | 6,8,10,14,16-Eicosapentaenoic acid, 5,12,18-trihydroxy-, (5S,6Z,8E,10E,12R,1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Resolvin E1 Sodium Salt is an omega-3 polyunsaturated fatty acid derivative. It has been observed that Resolvin E1 Sodium Salt can inhibit neuropathic pain and spinal cord microgial activation after peripheral nerve injury. In addition, Resolvin E1 Sodium Salt has anti-inflammatory, pro-resolution, and anti-nociceptive properties.

Specifications

Synonyms

(5S, 12R, 18R)-trihydroxy-(6Z, 8E, 10E, 14Z, 16E)-icosapentaenoic acid | AKOS040742539 | 5S, 12R, 18R-trihydroxy-6Z, 8E, 10E, 14Z, 16E-eicosapentaenoic acid | J2.218.407E | UNII-GND3JH08JA | 6, 8, 10, 14, 16-Eicosapentaenoic acid, 5, 12, 18-trihydroxy-, (5S, 6Z, 8E, 10E, 12R, 1

Specifications & Purity

Moligand™

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of chemerin receptor 1

Names and Identifiers

• Canonical Smiles: CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O
• IUPAC Name: (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
• InChIKey: AOPOCGPBAIARAV-OTBJXLELSA-N
• INCHI: 1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1
• Isomeric SMILES: CC[C@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O
• PubChem CID: 10473088
• Molecular Weight: 372.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyeicosapentaenoic acids
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxyeicosapentaenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyeicosapentaenoic acids. These are eicosanoic acids with an attached hydroxyl group and five CC double bonds.
• External Descriptors: Hydroxy/hydroperoxyeicosapentaenoic 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

Associated Targets(Human)

CMKLR1 Tchem Chemokine-like receptor 1 (1 Activities)

Discover Target: CMKLR1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 350.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 350.209 Da
• Monoisotopic Mass: 350.209 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 1