(±)-2-Hydroxyoctanoic acid - ≥98% , Agonist of HCA 3 receptor, CAS No.617-73-2, Agonist of HCA 3 receptor

CAS: 617-73-2 Cat. No.: X139091 分子式: CH₃(CH₂)₅CH(OH)COOH 分子量: 160.21 Beilstein Registry Number: 1760638 EC番号: 210-524-3

GRADE & PURITY ≥98%

Synonyms

2,6-Difluorocinnamicacid | AS-57720 | (+/-)-.ALPHA.-HYDROXYCAPRYLIC ACID | .alpha.-Hydroxy-n-caprylic acid | 3-P-Tolylpropenal | hydroxycaprylic acid | AKOS009157231 | DL-2-Hydroxyoctanoic acid | LMFA01050020 | Octanoic acid, 2-hydroxy- | a-Hydroxycapryla

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2,6-Difluorocinnamicacid | AS-57720 | (+/-)-.ALPHA.-HYDROXYCAPRYLIC ACID | .alpha.-Hydroxy-n-caprylic acid | 3-P-Tolylpropenal | hydroxycaprylic acid | AKOS009157231 | DL-2-Hydroxyoctanoic acid | LMFA01050020 | Octanoic acid, 2-hydroxy- | a-Hydroxycapryla

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

アクションタイプ

AGONIST

作用メカニズム

Agonist of HCA 3 receptor

純度

≥98%

名前と識別子

• パブケム・シド: 488186813
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186813
• カノニカル・スマイル: CCCCCCC(C(=O)O)O
• IUPAC Name: 2-hydroxyoctanoic acid
• InChIKey: JKRDADVRIYVCCY-UHFFFAOYSA-N
• INCHI: 1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
• 異性体SMILES: CCCCCCC(C(=O)O)O
• WGKドイツ: 3
• 分子量: 160.21
• Beilstein: 1760638
• Reaxy-Rn: 1760638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Monosaccharides Alpha 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 fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - 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
• 説明: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

関連ターゲット（人間）

HCAR3 Tchem Hydroxycarboxylic acid receptor 3 (0 Activities)

Discover Target: HCAR3

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 69 °C
• 分子量: 160.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• 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

参考文献

1. Quansheng Ge, Yiyuan Zhu, Chengao Li, Zhijie Ju, Renren Deng.  (2023)  Improving dispersibility of lanthanide-doped upconversion nanoparticles for luminescence applications in medium polarity solvents.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2023.120192]

2. Zhiyin Yao, Na Du, Nan Chen, Jianqiang Liu, Wanguo Hou.  (2022)  Primitive nucleobases @ sodium 2-Ketooctanoate vesicles with high salt resistance.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.119516]

3. Wang Meng, Zhang Renjun, Shang Lulu, Zhang Jingzhen, Wang Liwei, Zhang Mo.  (2026)  Chemoselective Probes for Profiling of Carboxylic Acid Metabolites in Biological Tissue.  CHROMATOGRAPHIA,      [PMID:] [10.1007/s10337-026-04485-0]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 617-73-2, the molecular formula is C8H16O3, and the molecular weight is 160.21 g/mol. InChIKey JKRDADVRIYVCCY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.