| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Cholic acid-d4 targets the same metabolic pathways as cholic acid. Cholic acid downregulates cholesterol-7-alpha-hydroxylase. It is formed from cholesterol via a multistep process catalyzed by cytochrome P450 isoforms CYP7A1, CYP8B1, and CYP27A1. Cholic acid is used to treat bile acid synthesis disorders and peroxisomal disorders.
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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, cholic acid-d4 is used as an internal standard for the quantification of cholic acid in biological samples by mass spectrometry. It has identical physicochemical properties to unlabeled cholic acid, with the deuterium atoms providing a mass shift for MS detection. It is used in studies of bile acid metabolism and enterohepatic circulation. |
| ln Vivo |
In vivo, cholic acid-d4 behaves identically to cholic acid. Cholic acid is a primary bile acid produced in the liver, often conjugated to glycine or taurine, and aids in fat absorption and cholesterol excretion. It is used as a treatment for patients with bile acid synthesis disorders due to single enzyme defects and to treat peroxisomal disorders.
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| Enzyme Assay |
In vitro assays using cholic acid-d4 as an internal standard involve spiking the compound into biological samples (plasma, bile, tissue extracts) prior to extraction and LC-MS/MS or GC-MS analysis. The deuterated compound is used to correct for matrix effects and ionization efficiency variations. Calibration curves are prepared using known concentrations of unlabeled cholic acid.
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| Cell Assay |
For in vitro cell assays, hepatocytes or intestinal cells are cultured and treated with cholic acid-d4 to study bile acid metabolism and transport. Cellular uptake and efflux of bile acids are measured by LC-MS/MS. The compound's effects on gene expression (e.g., CYP7A1, FXR) are assessed by qPCR. Cell viability is assessed by MTT assay.
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| Animal Protocol |
For in vivo animal studies, cholic acid-d4 is typically administered to rodents via oral gavage or intravenous injection in pharmacokinetic and metabolic studies. Blood, bile, and tissue samples are collected, and cholic acid levels are quantified by LC-MS/MS using the deuterated compound as an internal standard. Bile acid metabolism and enterohepatic circulation are studied.
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| ADME/Pharmacokinetics |
Cholic acid-d4 (MW ~412.57) has the molecular formula C24H36D4O5. The deuterium labeling provides a mass shift of +4 Da for MS detection. The compound is stable under recommended storage conditions. It is the deuterated form of cholic acid, a primary bile acid produced in the liver from cholesterol. It is used as an internal standard for bile acid quantification.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available for the deuterated form. Cholic acid is generally recognized as safe at therapeutic doses used for bile acid synthesis disorders. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
Bile acid-2,2,4,4-d4 is a bile acid. It is the deuterated form of bile acid and has potential diagnostic applications. After intravenous injection, the first-pass liver extraction rate of bile acids can be assessed by measuring the level of bile acid-2,2,4,4-d4, and this rate is mainly affected by portal venous blood flow and portosystemic shunt.
Cholic acid-d4 (CAS# 116380-66-6) is a stable isotope-labeled internal standard for the quantification of cholic acid by mass spectrometry. It has not been approved as a therapeutic drug. Cholic acid itself is approved for the treatment of bile acid synthesis disorders and peroxisomal disorders. The deuterated form is widely used in bile acid metabolism research, pharmacokinetics, and clinical diagnostics. |
| Molecular Formula |
C24H36D4O5
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|---|---|
| Molecular Weight |
412.60
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| Exact Mass |
412.312
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| CAS # |
116380-66-6
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| Related CAS # |
Cholic acid;81-25-4
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| PubChem CID |
16217616
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
583.9±50.0 °C at 760 mmHg
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| Flash Point |
321.0±26.6 °C
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| Vapour Pressure |
0.0±3.7 mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
2.62
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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 |
11
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| SMILES |
[2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)[2H]
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| InChi Key |
BHQCQFFYRZLCQQ-YFEOEUIKSA-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
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| Chemical Name |
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[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 |
| 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: 50 mg/mL (121.18 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.03 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 12.5 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: ≥ 1.25 mg/mL (3.03 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 12.5 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: ≥ 1.25 mg/mL (3.03 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 | 2.4237 mL | 12.1183 mL | 24.2365 mL | |
| 5 mM | 0.4847 mL | 2.4237 mL | 4.8473 mL | |
| 10 mM | 0.2424 mL | 1.2118 mL | 2.4237 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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