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

CAS: 16409-34-0 Cat. No.: S422026 Fórmula: C₂₆H₄₂NNaO₅ Peso molecular: 471.61 Número EC: 240-455-4 PubChem CID: 23688465

CALIDAD & PUREZA 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

Descripción general

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.

Especificaciones

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Induces apoptosis in hepatocytes; may induce DNA cleavage

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

528773340

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773340

Sonrisas canónicas

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

Isómeros 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 Alemania

3

PubChem CID

23688465

Peso molecular

471.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Rotación específica [α]: +41.0 to +45.0 deg(C=1,H2O)
• Punto de fusión (°C): 207 °C
• Peso molecular: 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