1,10-Decanediol - Moligand™, ≥98% , CAS No.112-47-0

CAS: 112-47-0 Cat. No.: D107052 分子式: C₁₀H₂₂O₂ 分子量: 174.28 Beilstein Registry Number: 1698975 EC番号: 203-975-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

Decamethylene glycol | 1,10-Dihydroxydecane

Storage

Room temperature

Shipped In

Normal

概要

1,10-Decanediol is a diol compound that can react with α-ketoglutarate (aKG) to generate polymeric microparticles (termed paKG MPs) for the sustained release of aKG, thereby promoting immunosuppressive regulation. Additionally, paKG MPs can bind to dendritic cells (DCs), reducing their glycolysis and mitochondrial respiration in vitro. These metabolic changes lead to the modulation of MHC-II and CD86 expression in DCs and alter the frequency of regulatory T cells (Tregs) as well as T-helper type 1/2/17 cells in vitro. 1,10-Decanediol can be used in research within the field of immunometabolism.

Specifications

同義語

Decamethylene glycol | 1,10-Dihydroxydecane

仕様と純度

Moligand™, ≥98%

保管条件

Room temperature

入荷

Normal

等級

Moligand™

純度

≥98%

名前と識別子

パブケム・シド

488183286

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488183286

カノニカル・スマイル

C(CCCCCO)CCCCO

IUPAC Name

decane-1,10-diol

InChIKey

FOTKYAAJKYLFFN-UHFFFAOYSA-N

INCHI

1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

異性体SMILES

C(CCCCCO)CCCCO

WGKドイツ

1

RTECS

HD8433713

分子量

174.28

Beilstein

1698975

Reaxy-Rn

1698975

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698975&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

• 溶解度: Soluble in alcohol. Insoluble in water, petroleum ether.
• 引火点（°F）: 305.6 °F
• 引火点（°C）: 152℃
• 沸点（°C）: 297°C
• 融点（°C）: 71-75°C
• 分子量: 174.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 174.162 Da
• Monoisotopic Mass: 174.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 64.200
• 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