| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
As a stable isotope-labeled tracer, fumaric acid-13C4 does not exert a pharmacological effect by binding to a biological target. It is used to trace metabolic pathways. When administered to cells or organisms, it is metabolized through the TCA cycle, allowing researchers to track the ¹³C label through fumarate hydratase and downstream reactions.
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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, fumaric acid-13C4 is used as a tracer in cell culture experiments to study TCA cycle metabolism. Cells are cultured in media containing the labeled compound, and the incorporation of ¹³C into downstream metabolites such as malate, oxaloacetate, and citrate is measured using mass spectrometry. |
| ln Vivo |
In vivo, fumaric acid-13C4 is administered to animals to study whole-body metabolism. The tracer can be given orally or intravenously, and the ¹³C label is tracked in blood and tissues to measure TCA cycle activity and metabolic flux. This approach is used to study metabolic diseases and cancer metabolism.
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| Enzyme Assay |
Cell-free assays for fumaric acid-13C4 are not typical, as the compound functions as a metabolic tracer in living systems. However, it can be used in in vitro enzymatic assays to study the kinetics of fumarate hydratase by tracking the transfer of the ¹³C label to reaction products.
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| Cell Assay |
In vitro cellular experiments involve culturing cells in media containing fumaric acid-13C4. After a defined incubation period, cells are harvested, and metabolites are extracted. The ¹³C enrichment in specific metabolites is then analyzed by mass spectrometry to determine TCA cycle activity.
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| Animal Protocol |
In vivo animal studies involve administering fumaric acid-13C4 to rodents via oral gavage or intravenous injection. Blood and tissue samples are collected at various time points to measure ¹³C enrichment in TCA cycle intermediates. This approach is used to study metabolic flux in various physiological and pathological conditions.
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| ADME/Pharmacokinetics |
The pharmacokinetics of fumaric acid-13C4 are identical to those of natural fumaric acid, as the isotopic substitution does not alter the molecule's chemical properties. It is rapidly absorbed and metabolized via the TCA cycle. The ¹³C label is incorporated into various metabolites and eventually excreted as ¹³CO₂.
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| Toxicity/Toxicokinetics |
Fumaric acid-13C4 is a stable, non-radioactive isotope that is considered safe for use in research. Fumaric acid is an endogenous metabolite and is generally recognized as safe. Standard laboratory safety practices apply when handling the compound.
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| References | |
| Additional Infomation |
Fumaric acid-13C4 is a research tool with no clinical applications or regulatory approvals. It is primarily used as a tracer for quantitation during the drug development process and in metabolic research. Its isotopic labeling enables precise tracking of fumaric acid metabolism using advanced analytical techniques like mass spectrometry.
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| Molecular Formula |
13C4H4O4
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|---|---|
| Molecular Weight |
120.04
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| Exact Mass |
120.024
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| CAS # |
201595-62-2
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| Related CAS # |
Fumaric acid;110-17-8
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| PubChem CID |
71309144
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Melting Point |
>290° C
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| Index of Refraction |
1.526
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| LogP |
-0.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
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| Complexity |
119
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O[13C](/[13CH]=[13CH]/[13C](=O)O)=O
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| InChi Key |
VZCYOOQTPOCHFL-BHBLSLFXSA-N
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| InChi Code |
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
|
| Chemical Name |
(E)-(1,2,3,4-13C4)but-2-enedioic 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 (~416.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.83 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 2.5 mg/mL (20.83 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (20.83 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3306 mL | 41.6528 mL | 83.3056 mL | |
| 5 mM | 1.6661 mL | 8.3306 mL | 16.6611 mL | |
| 10 mM | 0.8331 mL | 4.1653 mL | 8.3306 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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