Gemcabene , CAS No.183293-82-5

CAS: 183293-82-5 Cat. No.: G412424 分子式: C₁₆H₃₀O₅ 分子量: 302.41

Synonyms

2,2,2',2'-Tetramethyl-6,6'-oxydihexanoic acid | SDMBRCRVFFHJKR-UHFFFAOYSA-N | PD72953 | PD-72953 | 6,6'-Oxybis(2,2-dimethylhexanoic acid) | UNII-B96UX1DDKS | MS-24364 | PD72953; PD 72953; PD-72953 | DB05123 | Gemcabene [INN] | Gemcabene | Hexanoic acid, 6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Gemcabene (PD-72953), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive protein (CRP), exerting anti-inflammatory activity.

仕様

同義語

2,2,2',2'-Tetramethyl-6,6'-oxydihexanoic acid | SDMBRCRVFFHJKR-UHFFFAOYSA-N | PD72953 | PD-72953 | 6,6'-Oxybis(2,2-dimethylhexanoic acid) | UNII-B96UX1DDKS | MS-24364 | PD72953; PD 72953; PD-72953 | DB05123 | Gemcabene [INN] | Gemcabene | Hexanoic acid, 6

生化学的・生理学的メカニズム

Gemcabene (PD-72953), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive p

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

カノニカル・スマイル

CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O

IUPAC Name

6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid

InChIKey

SDMBRCRVFFHJKR-UHFFFAOYSA-N

INCHI

1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)

異性体SMILES

CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O

分子量

302.41

Reaxy-Rn

10094770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10094770&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: Methyl-branched fatty acids Dicarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Dicarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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

化学的性質と物理的性質

• 分子量: 302.410 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 302.209 Da
• Monoisotopic Mass: 302.209 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 302.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 183293-82-5, the molecular formula is C16H30O5, and the molecular weight is 302.41 g/mol. InChIKey SDMBRCRVFFHJKR-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.