3-Hydroxydodecanoic acid - Moligand™, ≥98% , Agonist of GPR84, CAS No.1883-13-2, Agonist of GPR84

CAS: 1883-13-2 Cat. No.: H275247 Molecular Weight: 216.32 EC Number: 808-499-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-OH lauric acid | beta-Hydroxylauric acid | beta-OH dodecanoic acid | 3-(R)-Hydroxydodecanoic acid | DL-beta-Hydroxylauric acid, >=99% (GC) | MFCD00133279 | GTPL5850 | 3-hydroxy lauric acid | 3-OH dodecanoic acid | BAA88313 | CHEBI:36206 | .beta.-Hydroxy

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 3 years.

Specifications

Synonyms

3-OH lauric acid | beta-Hydroxylauric acid | beta-OH dodecanoic acid | 3-(R)-Hydroxydodecanoic acid | DL-beta-Hydroxylauric acid, >=99% (GC) | MFCD00133279 | GTPL5850 | 3-hydroxy lauric acid | 3-OH dodecanoic acid | BAA88313 | CHEBI:36206 | .beta.-Hydroxy

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

3-Hydroxy C12:0 derivative of lauric acid. Use in chronic inflammation and insulin resistance studies, as internal standard and in biological systems.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR84

Note

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 -20°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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186816
• Canonical Smiles: CCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxydodecanoic acid
• InChIKey: MUCMKTPAZLSKTL-UHFFFAOYSA-N
• INCHI: 1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
• Isomeric SMILES: CCCCCCCCCC(CC(=O)O)O
• Molecular Weight: 216.32
• Reaxy-Rn: 1774915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774915&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: Hydroxy fatty 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)

GPR84 Tchem G-protein coupled receptor 84 (1 Activities)

Discover Target: GPR84

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

FFAR1 Tchem Free fatty acid receptor 1 (4763 Activities)

Discover Target: FFAR1

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

FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Ethanol: Soluble,Methanol: Soluble
• Molecular Weight: 216.320 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 216.173 Da
• Monoisotopic Mass: 216.173 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1