| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Oxaloacetic acid-13C4 does not have a specific biological target as it is a labeled metabolic tracer rather than a pharmacologically active compound. Its non-labeled form, oxaloacetic acid, is a naturally occurring metabolic intermediate that serves as a substrate for several enzymes in the citric acid cycle, including citrate synthase and malate dehydrogenase. The compound is used to trace carbon flux through these metabolic pathways. The labeled compound is not evaluated for biological activity against specific targets but is used as a research tool to study metabolic pathways.
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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. Due to its propensity to alter the pharmacokinetics and metabolic properties of medications, deuteration is a cause for concern [3].
The labeled compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of oxaloacetic acid. Oxaloacetic acid is a key metabolite that participates in multiple pathways, including the citric acid cycle, gluconeogenesis, and amino acid synthesis. In vitro, it is used as a substrate in enzyme assays and as a standard for metabolic studies. The labeled compound is used as an internal standard for quantifying oxaloacetic acid in biological samples by mass spectrometry. |
| ln Vivo |
Oxaloacetic acid-13C4 is not used as a therapeutic agent; its non-labeled form, oxaloacetic acid, is a naturally occurring metabolic intermediate. In vivo, oxaloacetic acid is produced in the mitochondria as part of the citric acid cycle and is rapidly metabolized. It does not exert pharmacological effects. The labeled compound is used in metabolic tracer studies to investigate carbon flux through various pathways in animal models. Its role is strictly analytical—serving as a tracer for metabolic pathway analysis.
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| Enzyme Assay |
In vitro assays for oxaloacetic acid-13C4 focus on its use as an analytical standard and metabolic tracer. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., water or buffer) and using it as an internal standard for LC-MS/MS analysis of oxaloacetic acid in biological samples. The compound can also be used in enzyme activity assays for citrate synthase or malate dehydrogenase. For metabolic flux studies, cells or tissues are incubated with the labeled compound, and the incorporation of ¹³C into downstream metabolites is analyzed by mass spectrometry.
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| Cell Assay |
In vitro cell culture experiments with oxaloacetic acid-13C4 are conducted to study cellular metabolism. Cells are cultured in appropriate media and treated with the labeled compound (typically 0.1-10 mM) for various time periods. Metabolites are extracted and analyzed by LC-MS/MS or GC-MS to trace the incorporation of ¹³C into metabolic intermediates. Cell viability is assessed to ensure that the labeled compound does not affect cellular function. The labeled compound is not used as a test compound for pharmacological activity but as a tracer for metabolic studies.
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| Animal Protocol |
In vivo animal studies with oxaloacetic acid-13C4 are conducted to trace metabolic pathways. Animals (e.g., mice or rats) are administered the labeled compound via oral gavage or intravenous injection. Blood and tissue samples are collected at various time points, and metabolites are extracted and analyzed by mass spectrometry to trace the incorporation of ¹³C into metabolic intermediates. The compound is not used as a therapeutic test article but as a tracer for studying in vivo metabolism.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of oxaloacetic acid-13C4 itself are not characterized, as it is not a drug substance. Oxaloacetic acid is a naturally occurring metabolite that is rapidly metabolized in the citric acid cycle. Its half-life in circulation is very short (minutes). The labeled compound is used as a tracer to study the pharmacokinetics of metabolic pathways rather than as a drug candidate. It is not intended for human exposure and has not been evaluated in formal pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Oxaloacetic acid-13C4 is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-labeled form, oxaloacetic acid, is a naturally occurring metabolite that is present in all living organisms and has low toxicity. The labeled compound is for research use only and should be handled with standard laboratory precautions, including the use of gloves and safety glasses. No acute toxicity data are available for the labeled compound.
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| References |
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| Additional Infomation |
Oxaloacetic acid-13C4 is a stable isotope-labeled internal standard used in studies of metabolism and metabolic pathway analysis. It is also known as 2-oxosuccinic acid-13C4. The compound is used in analytical method development, quality control, and metabolic flux studies. The incorporation of ¹³C allows for accurate quantification and tracing of oxaloacetic acid in biological samples using mass spectrometry. The compound is not approved for therapeutic use and has not undergone clinical trials.
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| Molecular Formula |
C4H4O5
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|---|---|
| Molecular Weight |
136.042181015015
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| Exact Mass |
136.019
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| CAS # |
161096-82-8
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| Related CAS # |
Oxaloacetic acid;328-42-7
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| PubChem CID |
165413035
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| Appearance |
White to off-white solid powder
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| LogP |
-0.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
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| Complexity |
158
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[13C](O)(=O)[13C]([13CH2][13C](O)=O)=O
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| InChi Key |
KHPXUQMNIQBQEV-JCDJMFQYSA-N
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| InChi Code |
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1
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| Chemical Name |
2-oxo(1,2,3,4-13C4)butanedioic 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 7.3508 mL | 36.7539 mL | 73.5078 mL | |
| 5 mM | 1.4702 mL | 7.3508 mL | 14.7016 mL | |
| 10 mM | 0.7351 mL | 3.6754 mL | 7.3508 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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