Phytanic Acid - Moligand™, A solution in ethanol,＞96% , Agonist of Retinoid X receptor-α, CAS No.14721-66-5, Agonist of Retinoid X receptor-α

CAS: 14721-66-5 Cat. No.: P348349 Molecular Weight: 312.53 Beilstein Registry Number: 1789963 EC Number: 630-841-4 PubChem CID: 26840

GRADE & PURITY Moligand™, A solution in ethanol,＞96%

Synonyms

BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3,7,11,15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-82571 | J-008329 | SCHEMBL7888 | C01607 | 8OYE5TF5VL | 3,7,11,15-tetramethylhexadecoanoate | Phytanate | DTXSID80864526 | Phytanoic acid | SR-0100094667

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Phytanic Acid has been found to be elevated in cases of peroxisomal disorders linked to diseases such as infantile phytanic acid storage disease and Refsum's disease.

Specifications

Synonyms

BDBM119875 | UNII-8OYE5TF5VL | HY-113067 | 3, 7, 11, 15-tetramethyl-1-hexadecanoic acid | NSC 108698 | AS-82571 | J-008329 | SCHEMBL7888 | C01607 | 8OYE5TF5VL | 3, 7, 11, 15-tetramethylhexadecoanoate | Phytanate | DTXSID80864526 | Phytanoic acid | SR-0100094667

Specifications & Purity

Moligand™, A solution in ethanol, ＞96%

Storage

Store at -20°C

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 Retinoid X receptor-α

Names and Identifiers

• Canonical Smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
• IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid
• InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
• WGK Germany: 3
• PubChem CID: 26840
• Molecular Weight: 312.53
• Beilstein: 1789963

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic diterpenoids
• Alternative Parents: Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic diterpenoid - Long-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
• External Descriptors: Acyclic diterpenoids

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)

RXRA Tclin Retinoic acid receptor RXR-alpha (0 Activities)

Discover Target: RXRA

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (< 0.1 mg/ml at 25° C), DMSO (~100 mg/ml), DMF (~100 mg/ml), and 0.15 M Tris-HCl (pH 8.5) solution (1 mg/ml).
• Refractive Index: n20D1.45 (Predicted)
• Boil Point(°C): 78° C
• Molecular Weight: 312.500 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jiyan Li, Guoyu Xing, Min Qiao, Silu Du, Tao Zhou, Shuo Gao, Hanxue Sun, Rui Jiao, An Li.  (2024)  Composite porous 3D foam for solar-driven atmospheric water harvesting in low humidity natural environment.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151543]

2. Yingting Yin, Wei Li, Mao Feng, Xiaodong Hu, Jiarong Niu, Jinbo Yao.  (2025)  Fabrication of Flame-Retardant and Anti-dripping Waterborne Polyurethane Containing Phosphorus/Silicon via a Green and Feasible Strategy.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c09232]

3. Guiyun Huang, Jia Liu, Hanxiao Zhang, Wei Zhang, Yong Deng, Jiulong Sha.  (2024)  A double-gradient structured hydrogel for an efficient moisture-electric generator.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158878]

4. Jinghang Zhu, Jiahao Shen, Haitong Zhao, Honghong Luo, Yiqun Fang, Weihong Wang, Yongming Song, Qingwen Wang.  (2025)  A bio-based P/N/S composite intumescent flame retardant for enhancing flame retardancy and smoke suppression of wood flour polypropylene composites.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129387]