| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
The unlabeled Deoxycholic acid activates the G protein-coupled bile acid receptor TGR5, which stimulates brown adipose tissue (BAT) thermogenic activity. The 13C-labeled version has the same biological activity but is primarily used as a tracer for quantitation. It also functions as a detergent to solubilize fats and is involved in cholesterol metabolism.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The labeled compound itself is not tested for specific in vitro activity; its utility is analytical. It serves as an internal standard in LC-MS/MS assays to quantify deoxycholic acid levels in biological matrices (plasma, urine, tissue). The stable heavy isotope mass shift (e.g., +1 Da) allows for precise correction of analyte recovery and matrix effects. Stable heavy isotopes are used as tracers during drug development. |
| ln Vivo |
Deoxycholic acid-13C is not administered for in vivo biological activity. Instead, it is used as a tracer in metabolic studies. The unlabeled parent compound (deoxycholic acid) has known in vivo effects, such as activating TGR5 and inducing fat emulsification. The labeled version is used to study the pharmacokinetics and tissue distribution of deoxycholic acid in animal models.
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| Enzyme Assay |
For a cell-free binding assay, a stable isotope dilution method is used. A known amount of Deoxycholic acid-13C (e.g., 5-50 ng) is spiked into a solution containing an unknown amount of unlabeled deoxycholic acid. The mixture is analyzed by LC-MS/MS. The ratio of the unlabeled to labeled peak areas is used to calculate the exact concentration of the unlabeled analyte using a calibration curve. No specific biological binding is assessed.
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| Cell Assay |
In a typical in vitro cell analysis, cells (e.g., hepatocytes) are incubated with unlabeled deoxycholic acid. After incubation, the cell culture medium is collected, and a known amount of Deoxycholic acid-13C is added as an internal standard. The sample is extracted via protein precipitation (e.g., with acetonitrile) and analyzed by LC-MS/MS. The ratio of the analyte signal to the internal standard signal is used to calculate the concentration of deoxycholic acid in the medium.
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| Animal Protocol |
A typical in vivo protocol for a bile acid metabolism study: Mice are administered unlabeled deoxycholic acid (e.g., 10 mg/kg IV). Blood samples are collected at various time points (0-24h). A known amount of Deoxycholic acid-13C is added to each plasma sample as an internal standard. The samples are processed by protein precipitation and analyzed by LC-MS/MS. The concentration of deoxycholic acid is determined by interpolating the analyte/IS peak area ratio on a standard curve, allowing the calculation of PK parameters like AUC, clearance, and half-life.
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| ADME/Pharmacokinetics |
As an internal standard, it has the same physicochemical properties as the unlabeled compound (e.g., solubility, stability). It is a solid that is stable for long-term storage at -20degC. Its use in LC-MS/MS provides superior accuracy and precision compared to external standardization. The labeled standard corrects for ion suppression and extraction losses during sample preparation. It is typically stored at -20degC.
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| Toxicity/Toxicokinetics |
Deoxycholic acid itself is cytotoxic at high concentrations and can cause tissue damage. However, the 13C-labeled version is used in minute, non-toxic quantities as an analytical standard (ng to ug levels). Standard laboratory safety precautions for handling bile acids should be followed. Avoid contact with skin and eyes due to potential irritant properties. It is not for human use.
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| References |
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| Additional Infomation |
Deoxycholic acid-13C is a stable isotope-labeled bile acid that serves as a quantitative internal standard for LC-MS/MS and GC-MS applications. Its use improves the accuracy of pharmacokinetic studies and metabolic profiling in drug development. It is a research-grade analytical standard, not an approved drug or therapeutic agent. It is intended for laboratory research purposes only.
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| Molecular Formula |
C24H40O4
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|---|---|
| Molecular Weight |
393.58
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| Exact Mass |
393.296
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| CAS # |
52886-37-0
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| Related CAS # |
Deoxycholic acid;83-44-3;Deoxycholic acid sodium salt;302-95-4;Deoxycholic acid-d4;112076-61-6;Deoxycholic acid-d5;52840-14-9;Deoxycholic acid sodium hydrate;145224-92-6;Deoxycholic acid-d6
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| PubChem CID |
66995729
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Index of Refraction |
1.543
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| LogP |
4.477
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
605
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C[C@H](CC[13C](=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
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| InChi Key |
KXGVEGMKQFWNSR-JJUQXLBJSA-N
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| InChi Code |
InChI=1S/C24H40O4/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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i22+1
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| Chemical Name |
(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](113C)pentanoic 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) |
DMSO : ≥ 100 mg/mL (~254.09 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 | 2.5408 mL | 12.7039 mL | 25.4078 mL | |
| 5 mM | 0.5082 mL | 2.5408 mL | 5.0816 mL | |
| 10 mM | 0.2541 mL | 1.2704 mL | 2.5408 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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