| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Deoxycholic acid-d4 targets the same receptors as its non-labeled counterpart, deoxycholic acid. It specifically activates the G protein-coupled bile acid receptor TGR5 (also known as GPBAR1). TGR5 plays a crucial role in various metabolic processes, including the regulation of energy homeostasis, glucose metabolism, and the stimulation of thermogenic activity in brown adipose tissue (BAT).
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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, Deoxycholic acid-d4 is used as a tracer to study the biological activity of bile acids. As a deuterated compound, its physicochemical properties are nearly identical to the non-labeled form, allowing it to be used in cell-based assays to investigate TGR5-mediated signaling pathways, such as cAMP production and the activation of downstream effectors. |
| ln Vivo |
In vivo activity data for Deoxycholic acid-d4 are not applicable in the context of a therapeutic agent. Its primary use is as an analytical standard. However, as a tracer, it can be administered to animals to study the pharmacokinetics and metabolism of deoxycholic acid. The deuterium label allows for precise quantification by mass spectrometry, distinguishing the administered compound from endogenous bile acids.
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| Enzyme Assay |
For non-cellular in vitro enzyme/receptor binding assays, Deoxycholic acid-d4 is not typically used as an active compound. Instead, its use is analytical. However, it can be used in receptor binding assays as a tracer if it is radiolabeled. Its primary application is as a stable isotope-labeled internal standard for mass spectrometry-based quantification, ensuring accurate measurement of deoxycholic acid levels in complex biological matrices.
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| Cell Assay |
For in vitro cellular assays, Deoxycholic acid-d4 is used as a tracer to study the uptake, metabolism, and signaling of bile acids in cell culture. Its deuterium label allows researchers to track the compound and its metabolites using mass spectrometry, providing valuable information about the cellular handling of deoxycholic acid. It is used in studies investigating TGR5 signaling and bile acid biology.
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| Animal Protocol |
In vivo animal studies with Deoxycholic acid-d4 are typically pharmacokinetic or metabolic studies. The compound is administered to animals, and its concentration in plasma, tissues, and excreta is measured over time using mass spectrometry. The deuterium label allows for the precise quantification of the administered compound, distinguishing it from endogenous deoxycholic acid. This provides accurate data on its absorption, distribution, metabolism, and excretion.
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| ADME/Pharmacokinetics |
Deoxycholic acid-d4 is a deuterated compound used primarily as an internal standard for analytical quantification. Its pharmacokinetic properties are assumed to be identical to those of deoxycholic acid. As a stable isotope-labeled compound, it is ideal for use in mass spectrometry-based assays, providing accurate and reliable quantification of bile acids in biological samples. It is a solid powder that should be stored under recommended conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for Deoxycholic acid-d4 are not applicable as it is a research standard, not a therapeutic agent. Its safety profile is expected to be consistent with that of the non-labeled deoxycholic acid. At the trace concentrations used for analytical purposes, it poses minimal risk. Standard laboratory safety practices should always be followed when handling the compound.
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| References |
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| Additional Infomation |
Deoxycholic acid-2,2,4,4-d4 is a deuterated compound and also a deoxycholic acid.
Deoxycholic acid-d4 is the deuterium-labeled form of deoxycholic acid. With a molecular weight of 396.60, it is used as a stable isotope-labeled internal standard for the quantification of deoxycholic acid in biological samples. Deoxycholic acid is an endogenous metabolite that activates the TGR5 receptor. The deuterated form is a critical tool for analytical chemistry and metabolic research. |
| Molecular Formula |
C24H36D4O4
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|---|---|
| Molecular Weight |
396.60
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| Exact Mass |
396.317
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| CAS # |
112076-61-6
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| Related CAS # |
Deoxycholic acid;83-44-3;Deoxycholic acid sodium salt;302-95-4;Deoxycholic acid-d5;52840-14-9;Deoxycholic acid-13C;52886-37-0;Deoxycholic acid sodium hydrate;145224-92-6;Deoxycholic acid-d6
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| PubChem CID |
71309027
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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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| Boiling Point |
547.1±35.0 °C at 760 mmHg
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| Melting Point |
171-174ºC
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| Flash Point |
298.8±22.4 °C
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| Vapour Pressure |
0.0±3.3 mmHg at 25°C
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| Index of Refraction |
1.543
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| LogP |
4.66
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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 |
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H]
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| InChi Key |
KXGVEGMKQFWNSR-FCSCGBJGSA-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/i10D2,12D2
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| Chemical Name |
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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: 100 mg/mL (252.14 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 | 2.5214 mL | 12.6072 mL | 25.2143 mL | |
| 5 mM | 0.5043 mL | 2.5214 mL | 5.0429 mL | |
| 10 mM | 0.2521 mL | 1.2607 mL | 2.5214 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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