| 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 |
| Targets |
3-Hydroxybutyric acid-d4 sodium shares the same biochemical targets as the unlabeled 3-hydroxybutyric acid. BHB is the primary ligand for the hydroxycarboxylic acid receptor 2 (HCAR2 or GPR109A), a G-protein-coupled receptor involved in regulating lipolysis. It also serves as a histone deacetylase (HDAC) inhibitor and is a major alternative energy substrate for the brain and peripheral tissues during periods of fasting or caloric restriction.
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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].
As a stable isotope-labeled compound, 3-Hydroxybutyric acid-d4 sodium is used as a tracer to study ketone body metabolism in vitro. It can be added to cell cultures, and its metabolic fate can be tracked via mass spectrometry (LC-MS or GC-MS). The unlabeled 3-hydroxybutyric acid has shown activity in modulating cellular energy states, reducing reactive oxygen species (ROS) production, and influencing gene expression related to metabolism and stress resistance. |
| ln Vivo |
In vivo, 3-Hydroxybutyric acid-d4 is used as a tracer to study whole-body ketone body metabolism, energy homeostasis, and gluconeogenesis. The unlabeled 3-hydroxybutyric acid is a key player in adapting metabolism during states of low carbohydrate availability, such as fasting or a ketogenic diet. It is being investigated for its therapeutic potential in various conditions, including epilepsy, neurodegenerative diseases, and heart failure, by providing an alternative fuel source and signaling molecule.
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| Enzyme Assay |
For in vitro (non-cellular) experiments, 3-Hydroxybutyric acid-d4 sodium is typically dissolved in a suitable solvent such as water or phosphate-buffered saline (PBS) to prepare a stock solution. It is used as an internal standard in LC-MS or GC-MS assays. The compound is spiked into biological samples like plasma or urine to achieve a known concentration. After protein precipitation and centrifugation, the sample is analyzed, and the analyte-to-standard ratio allows for precise quantification of the unlabeled 3-hydroxybutyric acid.
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| Cell Assay |
For in vitro cellular experiments, 3-Hydroxybutyric acid-d4 sodium can be added to cell culture media as a metabolic tracer. Cells are cultured in standard medium, and after reaching confluence, the medium is replaced with one containing the labeled compound at a defined concentration (e.g., 0.5-10 mM). After incubation for a specified period (e.g., 2, 6, 12, or 24 hours), the cells and/or media are collected and processed for LC-MS analysis to measure the incorporation of the label into downstream metabolites.
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| Animal Protocol |
For in vivo animal experiments, 3-Hydroxybutyric acid-d4 sodium is typically administered to rodents via an intraperitoneal (IP) injection or oral gavage at a specific dose (e.g., 100-500 mg/kg). Blood samples are collected at multiple time points (e.g., 0, 15, 30, 60, 120, and 240 minutes) from the tail vein. The plasma is separated, processed, and analyzed by LC-MS. This allows researchers to track the absorption, distribution, and clearance of the ketone body in a living organism.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of 3-Hydroxybutyric acid-d4 sodium are identical to the unlabeled compound. In humans, beta-hydroxybutyrate is normally present in very low concentrations (fasting) but can rise to several millimolar levels during ketosis. It is rapidly absorbed from the gut and distributed throughout the body. It crosses the blood-brain barrier via monocarboxylate transporters. Its half-life is dose-dependent but generally short, often between 1-3 hours, and it is cleared by being metabolized in extra-hepatic tissues.
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| Toxicity/Toxicokinetics |
3-Hydroxybutyric acid is an endogenous metabolite and is considered non-toxic at physiological or even therapeutic ketosis levels (up to ~3 mM in the blood). In research settings, the labeled compound is used at similarly low, non-toxic concentrations. It is a normal part of human metabolism, and the body is well-adapted to handle it. No specific toxic effects are expected from the use of the deuterium-labeled version beyond those of the unlabeled compound.
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| References | |
| Additional Infomation |
Sodium 3-hydroxybutyrate is an organic sodium salt formed by replacing the proton on the carboxyl group of 3-hydroxybutyrate with a sodium ion. It plays a role in human metabolism. It contains the 3-hydroxybutyrate ion.
3-Hydroxybutyric acid-d4 sodium is not an approved drug but is exclusively a research tool. Its major application is as an internal standard for the quantification of beta-hydroxybutyric acid in metabolic studies, clinical diagnostics (e.g., monitoring diabetic ketoacidosis), and pharmacokinetic studies. It is also used to investigate the metabolic pathways of ketone bodies and their role in health and disease through isotope tracing. |
| Molecular Formula |
C4H3D4NAO3
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|---|---|
| Molecular Weight |
130.11
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| Exact Mass |
131.062
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| CAS # |
1219804-68-8
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| Related CAS # |
3-Hydroxybutyric acid;300-85-6
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| PubChem CID |
23676771
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
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| Complexity |
73.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])(CC(=O)[O-])O.[Na+]
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| InChi Key |
NBPUSGBJDWCHKC-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
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| Chemical Name |
sodium;3-hydroxybutanoate
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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: Please store this product in a sealed and protected environment, 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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.6858 mL | 38.4290 mL | 76.8580 mL | |
| 5 mM | 1.5372 mL | 7.6858 mL | 15.3716 mL | |
| 10 mM | 0.7686 mL | 3.8429 mL | 7.6858 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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