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CONTACT US| Catalog Number | ACM302954-2 |
| CAS | 302-95-4 |
| Structure |  |
| Synonyms | Deoxycholic acid sodium |
| IUPAC Name | Sodium;(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]pentanoate |
| Molecular Weight | 414.6 |
| Molecular Formula | C24H39NaO4 |
| Canonical SMILES | CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] |
| InChI | InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1 |
| InChI Key | FHHPUSMSKHSNKW-SMOYURAASA-M |
| Melting Point | 357-365 °C |
| Purity | 99%+ |
| Complexity | 612 |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 10 |
| Exact Mass | 414.274604 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isomeric SMILES | C[C@H](CCC(=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+] |
| Monoisotopic Mass | 414.274604 |
| Physical State | Powder |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6 Ų |
Bintang MAKM, et al. Journal of Drug Delivery Science and Technology, 2023, 79, 104091.
Sodium deoxycholate can be transformed into sodium deoxycholate sulfate (SDCS), which effectively encapsulates amphotericin B (AmB) and polymyxin B (PMB), reducing their nephrotoxicity. The synthesis of SDCS involves three main steps: esterification, reduction, and sulfation of the base compound, deoxycholic acid.
In the esterification step, deoxycholic acid is reacted with sulfuric acid and methanol under reflux conditions for several hours. The progress of the reaction is monitored using thin-layer chromatography (TLC) until deoxycholic acid methyl ester is formed. The next step is reduction, where the ester is converted to the corresponding alcohol using sodium borohydride and tetrahydrofuran under reflux, with methanol added gradually over eight hours. Hydrochloric acid is then introduced, and the product is purified through column chromatography.
Finally, the sulfation process involves dissolving deoxycholate in a mixture of dimethylformamide and dichloromethane under reflux. A sulfur trioxide-pyridine complex is added along with saturated sodium bicarbonate to complete the reaction. The final product is purified using column chromatography, with TLC and FTIR employed throughout the process to ensure reaction completion and product purity.
Huang J, et al. Food Control, 2024, 166, 110711.
This study aimed to develop a rapid, specific, and sensitive detection method for viable L. monocytogenes and Salmonella in milk products using a novel qPCR assay enhanced by Sodium Deoxycholate (SD) and gold nanoparticles (AuNPs).
Methodology:
Primer Screening: Bioinformatics methods were employed to screen highly specific primers for L. monocytogenes (AX10_RS05385) and Salmonella (SEEPA511_RS03120). These primers were combined to construct a dual qPCR system.
Optimization: The optimal ratio of primer pairs (3:1) was determined to balance dual amplification reactions in the qPCR system.
Incorporation of SD and PMA: The inability of qPCR to differentiate between viable and non-viable cells was addressed by incorporating propidium monoazide (PMA). SD was added at a concentration of 0.01% before PMA treatment to enhance the inhibition of non-viable cells.
AuNPs Enhancement: The fluorescence signal of the qPCR system was significantly enhanced (by approximately 20%) by adding 5 μg/mL AuNPs with a diameter of 20 nm, improving detection sensitivity.
Results:
The developed AuNPs-SD-PMA-qPCR method demonstrated high specificity and sensitivity, accurately detecting as low as 5 × 10¹ CFU/g of viable L. monocytogenes and Salmonella in milk products after 6 hours of enrichment.
Kurosawa Y, et al. Colloids and Surfaces B: Biointerfaces, 2022, 212, 112344.
Sodium Deoxycholate induces selective conformational changes in BSA, particularly around Trp213, and this effect is enhanced by micelle formation.
Fluorescence Analysis: The relationship between the two Trp residues in BSA and NaDC's fluorescence energy was examined. Singular Value Decomposition (SVD) was utilized to separate the elements in the fluorescence spectra, isolating the contributions of autofluorescence, NaDC, and Trp residues.
Micellar NaDC Selectivity: SVD revealed that NaDC significantly affected the microenvironment around Trp213, selectively enhancing its interaction with micellar NaDC.
Domain Selectivity: Stern-Volmer plots of domain I (warfarin-specific) and domain II (ketoprofen-specific) in the presence of NaDC indicated that NaDC's effect was selective for domain II, where Trp213 is located.
Results: NaDC induced a localized and selective conformational change in BSA, particularly around Trp213. This selectivity was enhanced by the micellization of NaDC, emphasizing its specific interaction with domain II. The study's findings suggest that NaDC can be used to manipulate protein conformation, which is crucial for its function as an adjuvant or permeation enhancer in oral vaccines.
What is the molecular formula of Sodium deoxycholate?
The molecular formula of Sodium deoxycholate is C24H39NaO4.
What is the molecular weight of Sodium deoxycholate?
The molecular weight of Sodium deoxycholate is 414.6 g/mol.
What is Sodium deoxycholate commonly used for?
Sodium deoxycholate is commonly used as a choleretic and detergent.
What is the IUPAC Name of Sodium deoxycholate?
The IUPAC Name of Sodium deoxycholate is sodium;(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]pentanoate.
What is the InChIKey of Sodium deoxycholate?
The InChIKey of Sodium deoxycholate is FHHPUSMSKHSNKW-SMOYURAASA-M.
What is the canonical SMILES of Sodium deoxycholate?
The canonical SMILES of Sodium deoxycholate is CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+].
What is the CAS number of Sodium deoxycholate?
The CAS number of Sodium deoxycholate is 302-95-4.
What are some synonyms for Sodium deoxycholate?
Some synonyms for Sodium deoxycholate include Deoxycholic acid sodium salt and Sodium desoxycholate.
What are some related CAS numbers for Sodium deoxycholate?
Related CAS numbers for Sodium deoxycholate include 83-44-3 (Parent) and 145224-92-6.
What is the ChEMBL ID of Sodium deoxycholate?
The ChEMBL ID of Sodium deoxycholate is CHEMBL1365278.
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