Cholate de sodium hydraté - pour la culture cellulaire, ≥99% , CAS No.206986-87-0

CAS: 206986-87-0 Cat. No.: S104206 Formule: C₂₄H₃₉NaO₅ · xH₂O Poids moléculaire: 430.55 (anhydrous basis) Beilstein Registry Number: 3582354 Numéro CE: 979-895-3 PubChem CID: 23679061

GRADE & PURITY for Cell culture, ≥99%

Synonyms

2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate hydrate

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Le cholate est un acide biliaire primaire produit à partir du cholestérol dans le foie. C'est un détergent anionique synthétisé à partir du cholestérol en présence de la stérol 12α-hydroxylase (CYP8B1).

Application：

Le cholate est un acide biliaire produit dans le foie lors de la dégradation du cholestérol. Le cholate régule la cholestérol-7-α-hydroxylase (étape limitant la vitesse de la synthèse des acides biliaires). Le cholate, un détergent anionique, est utilisé seul ou en combinaison avec l'urée pour extraire et reconstituer les protéines membranaires et les complexes protéiques.
L'hydrate de cholate de sodium a été utilisé :
comme acide biliaire pour induire un système de transcription répondant aux acides biliaires (BEAR),
comme composant du bouillon défini de Campylobacter (CDB) pour tester son effet sur la réponse au stress chez Campylobacter jejuni{52
pour tester sa sensibilité au capteur d'acide biliaire ;

Specifications

Synonymes

2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate hydrate

Spécifications et pureté

pour la culture cellulaire, ≥99%

Mécanismes biochimiques et physiologiques

La réduction de l'activité de la 12-α hydroxylase entraîne de faibles niveaux d'acide cholique dans les maladies du foie.

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Grade

pour la culture cellulaire

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508814449

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814449

Sourires canoniques

O.[Na+].C[C@H](CCC([O-])=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

IUPAC Name

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

InChIKey

MUVVIYFKOVLQHL-RCVKHMDESA-M

INCHI

1S/C24H40O5.Na.H2O/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);;1H2/q;+1;/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

23679061

Poids moléculaire

430.55 (anhydrous basis)

Beilstein

3582354

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives
        • Level5 Hydroxy bile acids, alcohols and derivatives
          • Level6 Trihydroxy 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: Hydroxy bile acids, alcohols and derivatives
• Direct Parent: Trihydroxy bile acids, alcohols and derivatives
• Alternative Parents: 7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid salts Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Cyclic alcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Polyol - Organic sodium salt - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
• 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

Cibles associées (humaines)

HepG2 (196354 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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Cibles associées (non humaines)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Sensibilité: Moisture sensitive.
• Poids moléculaire: 448.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 448.28 Da
• Monoisotopic Mass: 448.28 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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

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