| 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 |
(R)-3-Hydroxybutanoic acid-13C2 sodium has no independent pharmacological target as a stable isotope tracer. The unlabeled (R)-3-hydroxybutanoic acid (also known as beta-hydroxybutyrate, BHB) is a ketone body produced in the liver from fatty acid oxidation during periods of fasting, starvation, or ketogenic diet. BHB serves as an alternative energy substrate for extrahepatic tissues, particularly the brain and heart, and signals through G protein-coupled receptors (e.g., GPR109A, HCAR2) to regulate lipolysis and inflammation.
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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 tracer, (R)-3-Hydroxybutanoic acid-13C2 sodium is not tested for in vitro pharmacological activity. In cell culture studies, it is used to trace ketone body metabolism, oxidation, and incorporation into the TCA cycle. The 13C label enables precise quantification of metabolic flux from ketone bodies into acetyl-CoA and downstream metabolites via LC-MS/MS, providing insights into energy metabolism in neurons, cardiomyocytes, and hepatocytes without interfering with normal cellular functions. |
| ln Vivo |
(R)-3-Hydroxybutanoic acid-13C2 sodium has no in vivo pharmacological activity as a therapeutic agent. It is used in animal studies as a stable isotope tracer administered intravenously or intraperitoneally to investigate ketone body metabolism, energy homeostasis, and brain energy metabolism under various conditions such as fasting, diabetes, or ketogenic diet. The 13C label enables tracking of BHB conversion to acetyl-CoA and incorporation into TCA cycle intermediates and neurotransmitters (e.g., glutamate, GABA).
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| Enzyme Assay |
For in vitro tracer experiments, (R)-3-Hydroxybutanoic acid-13C2 sodium is dissolved in water or cell culture medium to prepare a stock solution (e.g., 10-100 mM). The compound is then added to cell culture media at a final concentration of 0.1-10 mM (physiological ketosis range 0.5-5 mM). Cells (e.g., neurons, cardiomyocytes, hepatocytes) are incubated for labeling periods of 1-24 hours. Metabolites are extracted with 0.1% formic acid in methanol:water (80:20). After protein precipitation by centrifugation, the supernatant is analyzed by LC-MS/MS to trace the incorporation of 13C-labeled BHB into acetyl-CoA, TCA cycle intermediates (citrate, succinate, malate, oxaloacetate), and neurotransmitters (glutamate, GABA, aspartate).
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| Cell Assay |
For cell-based studies, cells (e.g., primary neurons, SH-SY5Y neuronal cells, or H9c2 cardiomyocytes) are cultured in standard medium (DMEM with 10% FBS, 2 mM glutamine). The medium is then replaced with medium containing (R)-3-Hydroxybutanoic acid-13C2 sodium at a defined concentration (0.1-10 mM). Cells are incubated for 1-48 hours at 37degC in 5% CO2. At each time point, cells are washed with PBS and lysed in 0.1% formic acid in methanol. After protein precipitation and centrifugation (10,000-15,000 rpm, 10 minutes), the supernatant is analyzed by LC-MS/MS to quantify 13C-enriched BHB, acetyl-CoA, and TCA cycle intermediates. For brain cells, incorporation into neurotransmitters (glutamate, GABA) is also measured.
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| Animal Protocol |
For in vivo tracer studies, (R)-3-Hydroxybutanoic acid-13C2 sodium is administered to rodents via intravenous injection (tail vein), intraperitoneal injection (50-200 mg/kg), or subcutaneous injection. For brain metabolism studies, administration via intracerebroventricular (ICV) injection may be used. Blood samples are collected at multiple time points (0, 15, 30, 60, 120, 240 minutes). At terminal time points, tissues (brain, liver, heart, skeletal muscle) are harvested, snap-frozen in liquid nitrogen, and stored at -80degC. Tissues are homogenized in 0.1% formic acid in methanol, centrifuged, and analyzed by LC-MS/MS to quantify 13C-labeled BHB and its metabolites. For ¹3C-NMR-based flux analysis, tissue extracts are analyzed by NMR spectroscopy to determine labeling patterns in glucose, lactate, glutamate, and other metabolites.
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| ADME/Pharmacokinetics |
(R)-3-Hydroxybutanoic acid-13C2 sodium is a stable isotope tracer and follows the same PK properties as natural (R)-3-hydroxybutyrate. BHB is rapidly absorbed and distributed, with plasma half-life of 30-90 minutes in humans. BHB crosses the blood-brain barrier via monocarboxylate transporters (MCT1, MCT2) and is converted to acetyl-CoA and succinate for TCA cycle entry. The volume of distribution is approximately 0.3-0.5 L/kg. BHB is primarily metabolized in extrahepatic tissues and cleared by renal excretion. The 13C label enables precise tracking of these pathways without altering pharmacokinetics.
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| Toxicity/Toxicokinetics |
(R)-3-Hydroxybutanoic acid is an endogenous ketone body and has low toxicity. Nutritional BHB supplementation (up to 10-20 g/day) is generally well-tolerated, though high doses may cause gastrointestinal distress. The LD50 in rodents is >2,000 mg/kg. The 13C-labeled version is chemically identical except for isotopic substitution and exhibits the same safety profile. Standard laboratory safety precautions for handling organic acids apply. Not intended for human consumption.
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| References | |
| Additional Infomation |
(R)-3-Hydroxybutanoic acid-13C2 sodium is not a drug but a stable isotope-labeled research tracer. It has no approved therapeutic status, no clinical trial history as a therapeutic agent, and is not intended for human consumption. This compound is used for research applications including metabolic tracer studies to investigate ketone body metabolism, TCA cycle flux, and brain energy metabolism, as an internal standard for LC-MS or GC-MS quantification of BHB in biological samples, and NMR spectroscopy to study metabolic pathways and energy homeostasis in fasting, diabetes, ketogenic diet, and neurological disorders (e.g., Alzheimer's disease, epilepsy, traumatic brain injury). Available with high isotopic enrichment (≥99 atom% 13C).
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| Molecular Formula |
C4H7NAO3
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|---|---|
| Molecular Weight |
126.086352586746
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| Exact Mass |
129.043
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| CAS # |
202114-54-3
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| Related CAS # |
Adenosine;58-61-7;(R)-3-Hydroxybutanoic acid sodium;13613-65-5
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| PubChem CID |
171042871
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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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 |
69.3
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[13CH3][C@H]([13CH2]C(=O)O)O.[Na]
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| InChi Key |
CWQQGENZHRKCMJ-WGJKDMNVSA-N
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| InChi Code |
InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/t3-;/m1./s1/i1+1,2+1;
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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 Vitro) |
H2O: 125 mg/mL (976.03 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 | 7.9308 mL | 39.6542 mL | 79.3084 mL | |
| 5 mM | 1.5862 mL | 7.9308 mL | 15.8617 mL | |
| 10 mM | 0.7931 mL | 3.9654 mL | 7.9308 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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