| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Taurochenodeoxycholate-3-sulfate targets bile acid receptors and transporters involved in enterohepatic circulation. As a sulfated bile acid, it interacts with the farnesoid X receptor (FXR), a nuclear receptor that regulates bile acid synthesis and metabolism. The compound may also interact with the G protein-coupled bile acid receptor (TGR5) and bile acid transporters such as the apical sodium-dependent bile acid transporter (ASBT) and the organic anion transporting polypeptides (OATPs). The sulfation of taurochenodeoxycholate modifies its receptor binding properties and increases its hydrophilicity, promoting its excretion.
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| ln Vitro |
In vitro studies on Taurochenodeoxycholate-3-sulfate are limited, as the compound is primarily used as an analytical standard. However, bile acids and their sulfated metabolites have been studied extensively for their roles in lipid metabolism, cholesterol homeostasis, and signaling through nuclear and G protein-coupled receptors. Sulfated bile acids have been shown to have different receptor binding properties compared to their unsulfated counterparts. Taurochenodeoxycholate-3-sulfate may be used in in vitro assays to study bile acid receptor activation and transport.
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| ln Vivo |
In vivo studies on Taurochenodeoxycholate-3-sulfate are limited. As a sulfated bile acid, the compound is formed in the liver and excreted in bile. Sulfation increases the hydrophilicity of bile acids and promotes their excretion in urine and feces. The compound is studied in the context of bile acid metabolism, enterohepatic circulation, and cholestatic liver diseases. Elevated levels of sulfated bile acids may be observed in certain liver diseases and can serve as biomarkers of liver dysfunction.
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| Enzyme Assay |
The in vitro receptor binding assays for Taurochenodeoxycholate-3-sulfate typically involve measuring its affinity for bile acid receptors such as FXR and TGR5 using radioligand binding or cell-based reporter assays. In these assays, the compound is incubated with receptor-expressing cells or membrane preparations, and receptor activation is measured. The compound's ability to activate or inhibit these receptors is determined from dose-response curves. These assays are standard for characterizing the biological activity of bile acids and their metabolites.
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| Cell Assay |
Cellular assays for Taurochenodeoxycholate-3-sulfate are conducted using hepatocytes, intestinal epithelial cells, or other cell types expressing bile acid receptors and transporters. Cells are treated with varying concentrations of the compound, and bile acid receptor activation, gene expression, and cell viability are assessed. The compound's effects on bile acid metabolism and signaling are studied using reporter gene assays, quantitative PCR, and Western blotting. These cell-based assays provide insights into the biological activity of sulfated bile acids.
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| Animal Protocol |
In vivo animal studies for Taurochenodeoxycholate-3-sulfate are conducted in mouse and rat models of cholestasis, liver disease, and bile acid metabolism. The compound is administered orally or intravenously, and its effects on bile acid metabolism, liver function, and enterohepatic circulation are assessed. Bile acid levels in plasma, bile, and tissues are measured using LC-MS/MS. These studies help to elucidate the role of sulfated bile acids in health and disease and support the use of these compounds as biomarkers of liver function.
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| ADME/Pharmacokinetics |
Taurochenodeoxycholate-3-sulfate has a molecular formula of C26H44NNaO8S2 and a molecular weight of approximately 585.75. The compound is a sodium salt and is soluble in water and methanol. For research use, the compound is typically stored as powder at -20degC for up to 3 years or at 4degC for up to 2 years. The compound is used as an analytical standard for the quantification of bile acids in biological samples using LC-MS/MS or other analytical methods. Detailed pharmacokinetic parameters are not available, as the compound is a metabolite rather than a therapeutic agent.
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| Toxicity/Toxicokinetics |
Toxicological data for Taurochenodeoxycholate-3-sulfate are derived from studies on bile acids and their metabolites. Bile acids at high concentrations can be toxic to cells and tissues, but sulfated bile acids are generally less toxic due to their increased hydrophilicity and enhanced excretion. The compound is a naturally occurring metabolite and is considered to have a reasonable safety profile at physiological concentrations. Standard safety precautions should be followed when handling the compound for research purposes.
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| References | |
| Additional Infomation |
Taurochenodeoxycholate-3-sulfate (CAS#: 67030-59-5) is a sulfated bile acid conjugate used primarily as an analytical standard for studying bile acid metabolism and enterohepatic circulation. It has a molecular formula of C26H44NNaO8S2 and a molecular weight of approximately 585.75. The compound is formed by the sulfation of taurochenodeoxycholic acid, which increases its hydrophilicity and promotes its excretion. Taurochenodeoxycholate-3-sulfate is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C26H45NO9S2
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|---|---|
| Molecular Weight |
579.7668
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| Exact Mass |
579.253
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| CAS # |
67030-59-5
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| PubChem CID |
194244
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
38
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| Complexity |
1090
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| Defined Atom Stereocenter Count |
7
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| SMILES |
S(=O)(=O)(O[H])O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@]([H])(C1([H])C2([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])=O)C([H])([H])C([H])([H])C21[H])O[H]
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| InChi Key |
GLVWZDCWCRWVFM-RZGYGYJVSA-N
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| InChi Code |
InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-/m1/s1
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| Chemical Name |
2-[[(4R)-4-[(3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O : ~50 mg/mL (~86.24 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7248 mL | 8.6241 mL | 17.2482 mL | |
| 5 mM | 0.3450 mL | 1.7248 mL | 3.4496 mL | |
| 10 mM | 0.1725 mL | 0.8624 mL | 1.7248 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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