Sodium glycodeoxycholate - ≥97% , CAS No.16409-34-0

CAS: 16409-34-0 Cat. No.: S102123 分子式: C₂₆H₄₂NNaO₅ 分子量: 471.61 EC番号: 240-455-4 PubChem CID: 23688465

GRADE & PURITY ≥97%

Synonyms

EX-A3817 | N-((3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINOACETATE | sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate | N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-24-OXO-5.BETA.-CHOLAN-24-YL)GLYCINE SODIUM SALT | AS-73534 | Sodium gl

Storage

Room temperature

Shipped In

Normal

概要

Sodium glycodeoxycholate is a bile salt that can be used to form biomimicking environments.

Glycodeoxycholic Acid, Sodium Salt induces apoptosis in hepatocytes by a mechanism associated with DNA cleavage by endonucleases.

Sodium glycodeoxycholate has been used in a study to develop more similar mimetic intestinal fluids to physiological fluids than those developed by mixed bile salt systems (MBS). It has also been used in a study to investigate Ca2+ buffering capability of bile salt micelles.

Specifications

同義語

EX-A3817 | N-((3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINOACETATE | sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate | N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-24-OXO-5.BETA.-CHOLAN-24-YL)GLYCINE SODIUM SALT | AS-73534 | Sodium gl

仕様と純度

≥97%

生化学的・生理学的メカニズム

Induces apoptosis in hepatocytes; may induce DNA cleavage

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

504769668

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504769668

カノニカル・スマイル

CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]

IUPAC Name

sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

InChIKey

VMSNAUAEKXEYGP-YEUHZSMFSA-M

INCHI

1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-;/m1./s1

異性体SMILES

C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

WGKドイツ

3

PubChem CID

23688465

分子量

471.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycinated bile acids and derivatives
• Alternative Parents: Dihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-alpha-hydroxysteroids N-acyl-alpha amino acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Cyclic alcohols and derivatives Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organopnictogen compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Hydroxysteroid - 12-hydroxysteroid - 3-alpha-hydroxysteroid - 3-hydroxysteroid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Fatty acyl - N-acyl-amine - Fatty amide - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organic sodium salt - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
• 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

• 比旋光度［α］: +41.0 to +45.0 deg(C=1,H2O)
• 融点（°C）: 207 °C
• 分子量: 471.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 471.296 Da
• Monoisotopic Mass: 471.296 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 733.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 16409-34-0, the molecular formula is C26H42NNaO5, and the molecular weight is 471.61 g/mol. InChIKey VMSNAUAEKXEYGP-YEUHZSMFSA-M.

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.