Sodio taurodeossicolato idrato - ≥95% , CAS No.207737-97-1

CAS: 207737-97-1 Cat. No.: S168485 Formula: C₂₆H₄₄NNaO₆S.XH₂O Peso molecolare: 521.69（anhy） Numero EC: 805-952-8

GRADE & PURITY ≥95%

Synonyms

F20490 | Taurodeoxycholic acid sodium salt hydrate | Sodium taurodeoxycholate hydrate | Sodium taurodeoxycholate hydrate, BioXtra, >=97% (TLC) | MFCD00149238 | Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

Detergente anionico legato ai sali biliari utilizzato per l'isolamento delle proteine di membrana, comprese quelle della membrana mitocondriale interna.
Il taurodeossicolato idrato di sodio è stato utilizzato in uno studio per valutare l'effetto di concentrazioni submicellari di sali biliari sulla membrana del bilayer lipidico. È stato anche utilizzato in uno studio per indagare il comportamento polimorfico delle miscele proteiche-surfattanti.

Specifications

Sinonimi

F20490 | Taurodeoxycholic acid sodium salt hydrate | Sodium taurodeoxycholate hydrate | Sodium taurodeoxycholate hydrate, BioXtra, >=97% (TLC) | MFCD00149238 | Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Tipo di azione

ACTIVATOR

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488200588
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200588
• Sorrisi canonici: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[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]ethanesulfonate;hydrate
• InChIKey: OLPIZAYYAVQETM-GGPRKOIFSA-M
• INCHI: 1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1
• Isomeri SMILES: C[C@H](CCC(=O)NCCS(=O)(=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.O.[Na+]
• CAS alternativo: 1180-95-6；110026-03-4；516-50-7
• Peso molecolare: 521.69（anhy）

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Taurinated bile acids and derivatives
• Alternative Parents: Dihydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids 12-hydroxysteroids N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Taurinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Fatty acyl - N-acyl-amine - Fatty amide - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organic alkali metal salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 168°C
• Peso molecolare: 539.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 539.289 Da
• Monoisotopic Mass: 539.289 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 864.000
• 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: 3

XLogP3

Riferimenti

1. 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]

2. Shanglin Xiang, Jingjin Cai, Peng Wang, Bingjie Ge, Jun Zhang, Dongyu Cai.  (2025)  Solar-driven degradation of encapsulated polyurethane adhesives in aluminum-plastic laminates via MXene-enhanced ternary heterojunction Photocatalysis.  JOURNAL OF ADHESION,      [PMID:] [10.1080/00218464.2025.2587224]