| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Cholic acid-d5 does not have a specific pharmacological target as it is a stable isotope-labeled internal standard rather than a therapeutic drug. Cholic acid itself is a major primary bile acid that facilitates fat absorption and cholesterol excretion. The deuterated form is used as a tracer to study bile acid metabolism, enterohepatic circulation, and lipid digestion.
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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].
In vitro activity of Cholic acid-d5 is not evaluated as a bioactive compound. Its utility lies in its role as an internal standard for mass spectrometry-based quantification of cholic acid and related bile acids. It is used in analytical method development to accurately measure bile acid levels in biological samples, aiding research in hepatology and lipid metabolism. |
| ln Vivo |
In vivo, Cholic acid-d5 is not administered as a therapeutic agent. It is used as an internal standard in research studies to quantify cholic acid and other bile acids in biological samples such as plasma, bile, and tissues. Bile acids are involved in fat absorption and cholesterol excretion, and their levels reflect hepatobiliary function and lipid metabolism.
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| Enzyme Assay |
In vitro enzyme assays with Cholic acid-d5 typically involve using the compound as an internal standard in assays that measure bile acid metabolism or related pathways. The deuterated standard is added to samples to control for extraction efficiency and ionization suppression in mass spectrometry analysis. Standard protocols involve spiking samples with the deuterated standard and analyzing by LC-MS/MS.
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| Cell Assay |
Cholic acid-d5 is not typically used in cell culture experiments as a bioactive compound. However, it may be employed as an internal standard in cell-based studies investigating bile acid metabolism, hepatocyte function, or lipid metabolism. Cells such as hepatocytes are cultured with bile acids, and the deuterated standard is used to quantify cholic acid and its metabolites in cell lysates or culture media by LC-MS/MS.
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| Animal Protocol |
In vivo animal experiments with Cholic acid-d5 typically involve using the compound as an internal standard in pharmacokinetic or metabolic studies of bile acids. Animals are administered cholic acid or related bile acids, and blood, bile, liver, and intestinal samples are collected. The deuterated standard is added to samples to quantify cholic acid and its metabolites by LC-MS/MS, providing data on bile acid metabolism and enterohepatic circulation.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Cholic acid-d5 are relevant to its use as an internal standard. The deuterated compound has essentially identical physicochemical properties to the unlabeled cholic acid, making it an ideal internal standard for PK studies of bile acid metabolism. It co-elutes with the analyte during chromatography and has similar ionization efficiency in mass spectrometry, allowing for accurate quantification.
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| Toxicity/Toxicokinetics |
Cholic acid-d5 has a low toxicity profile consistent with its use as an analytical standard. Cholic acid is a naturally occurring bile acid and is generally safe at physiological concentrations. The deuterium label does not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling. It is not classified as a hazardous substance.
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| References |
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| Additional Infomation |
Cholic acid-d5 is a deuterated form of cholic acid used as an internal standard for the quantification of cholic acid and related bile acids in biological samples by LC-MS/MS. Cholic acid is a major primary bile acid produced in the liver that facilitates fat absorption and cholesterol excretion. The compound is not a drug and has no therapeutic indications. It is available for laboratory research use only.
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| Molecular Formula |
C24H40O5
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|---|---|
| Molecular Weight |
408.57140827179
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| Exact Mass |
413.318
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| CAS # |
53007-09-3
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| Related CAS # |
Cholic acid;81-25-4
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| PubChem CID |
71314855
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| Appearance |
White to off-white solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
637
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| Defined Atom Stereocenter Count |
9
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| SMILES |
O[C@@H]1C[C@]2([H])C([H])([H])[C@]([H])(O)C([H])([H])C[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C
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| InChi Key |
BHQCQFFYRZLCQQ-MFZFCIHOSA-N
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| InChi Code |
InChI=1S/C24H40O5/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)/t13-,14+,15-,16-,17+,18?,19-,20+,22?,23+,24-/m1/s1/i8D2,10D2,15D
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| Chemical Name |
(4R)-4-[(3R,5S,7R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 (241.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4476 mL | 12.2378 mL | 24.4756 mL | |
| 5 mM | 0.4895 mL | 2.4476 mL | 4.8951 mL | |
| 10 mM | 0.2448 mL | 1.2238 mL | 2.4476 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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