Sodium glycodeoxycholate - 10mM in DMSO , CAS No.16409-34-0

CAS: 16409-34-0 Cat. No.: S422026 分子式: C₂₆H₄₂NNaO₅ 分子量: 471.61 EC番号: 240-455-4 PubChem CID: 23688465

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in DMSO

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

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528773340
• 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

参考文献

1. Bowen Xiao, Rongyan Yang, Pengyu Chen, Jing Yang, Binbin Sun, Kunkun Wang, Tong Zhang, Lingyan Zhu.  (2021)  Insights into the lower trophic transfer of silver ions than silver containing nanoparticles along an aquatic food chain.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:34798747] [10.1016/j.scitotenv.2021.150228]

2. Ying Ma, Yanmei Hou, Kui Xie, Lina Zhang, Peng Zhou.  (2021)  Digestive differences in immunoglobulin G and lactoferrin among human, bovine, and caprine milk following in vitro digestion.  INTERNATIONAL DAIRY JOURNAL,      [PMID:] [10.1016/j.idairyj.2021.105081]

3. Wenwen Deng, Xia Yang, Yuan Zhu, Jiangnan Yu, Ximing Xu.  (2019)  Structural characterization and hypolipidemic activities of purified stigma maydis polysaccharides.  Food Science & Nutrition,  7  (8): (2674-2683).  [PMID:31428354] [10.1002/fsn3.1123]

4. Jingjing Cong, Pianpian Liu, Zili Han, Wei Ying, Chaoliang Li, Yifei Yang, Shuling Wang, Jianbo Yang, Fei Cao, Juntao Shen, Yu Zeng, Yu Bai, Congzhao Zhou, Lilin Ye, Rongbin Zhou, Chunjun Guo, Chunlei Cang, Dennis L. Kasper, Xinyang Song, Lei Dai, Linfeng Sun, Wen Pan, Shu Zhu.  (2024)  Bile acids modified by the intestinal microbiota promote colorectal cancer growth by suppressing CD8+ T cell effector functions.  IMMUNITY,      [PMID:38479384] [10.1016/j.immuni.2024.02.014]

5. Bowen Xiao, Xiaolei Wang, Jing Yang, Kunkun Wang, Yinqing Zhang, Binbin Sun, Tong Zhang, Lingyan Zhu.  (2020)  Bioaccumulation kinetics and tissue distribution of silver nanoparticles in zebrafish: The mechanisms and influence of natural organic matter.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:32171962] [10.1016/j.ecoenv.2020.110454]

6. Xiang-Rui Wang, Dingyuan Liang, Xiaoli Zhao, Ying Wang, Wen-Hong Fan.  (2025)  Discriminating nanoparticulate and ionic silver in vivo: Organ-specific distribution and toxicological outcomes via gold-core labeling.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41270418] [10.1016/j.jhazmat.2025.140546]