Taurodeoxycholic acid sodium salt monohydrate CAS#: 207737-97-1; 凯望编码 (ChemWhat Code): 296763
Identification
| 英文名 | Taurodeoxycholic acid sodium salt monohydrate CAS#: 207737-97-1 |
| 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 |
| 分子结构 |  |
| CAS编号 | 207737-97-1 |
| EINECS Number | 805-952-8 |
| MDL Number | MFCD00149238 |
| Beilstein Registry Number | 3901204 |
| 别名 | taurodeoxycholic acid sodium salt hydratesodium taurodeoxycholate hydrate |
| 分子式 | C26H46NNaO7S |
| 分子量 | 539.701 |
| InChI | 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 |
| InChI Key | OLPIZAYYAVQETM-GGPRKOIFSA-M |
| Canonical 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+] |
| Patent Information |
| No data available |
Physical Data
| Appearance | White to off white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| No data available |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Store at room temperature; Sealed and away from light; Keep dry. | |
| HS Code | No data available |
| Storage | Store at room temperature; Sealed and away from light; Keep dry. |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 555.709 |
| logP | |
| HBA | 9 |
| HBD | 5 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 155.37 |
| Rotatable Bond (RotB) | 8 |
| Matching Veber Rules | 1 |
| Use Pattern |
| Membrane Protein Extraction and Solubilization: |
| Used for the extraction of cell membrane proteins, mitochondrial inner membrane proteins, and related membrane-associated proteins. |
| Capable of gently disrupting lipid bilayers while maintaining partial protein activity. |
| Commonly applied in protein purification, Western blot analysis, and membrane protein research. |
| Biosurfactant / Detergent. Classified as an anionic bile salt detergent. Used in cell lysis, liposome treatment, and protein–lipid complex studies. |
| Drug and Vaccine Delivery Research Can enhance biological membrane permeability. Applied in drug delivery systems, nanocarrier development, and vaccine adjuvant research. |
| Lipid and Bile Acid Research Used in studies of bile acid metabolism. Applied in research related to gut microbiota, lipid metabolism, and cell signaling pathways. |
| Protein–Surfactant Interaction Studies Used to investigate protein aggregation, protein conformational changes, and micelle formation. |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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