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| Targets |
(S)-Malic acid-d3 does not have a specific pharmacological receptor target. As a stable isotope-labeled compound, it is used as a tracer in metabolic studies. (S)-Malic acid is an intermediate in the TCA cycle, involved in energy production. The deuterium labeling allows for the tracking of its metabolic fate in biological systems.
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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, (S)-Malic acid-d3 is not used for biological activity assays. Its primary utility is as a tracer in metabolic studies to track the metabolism of malic acid in cellular pathways. Cells are cultured in media containing the labeled compound, and the incorporation of deuterium into downstream metabolites is analyzed using mass spectrometry. |
| ln Vivo |
In vivo, (S)-Malic acid-d3 is used as a metabolic tracer to study the TCA cycle and energy metabolism. By administering the labeled compound and measuring the incorporation of deuterium into metabolites using mass spectrometry, researchers can map metabolic pathways. It is not used for therapeutic purposes.
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| Enzyme Assay |
For non-cell-based assays, (S)-Malic acid-d3 is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR and mass spectrometry. It is not used in receptor binding assays. Its role is to serve as a quantitative tracer in metabolic studies, enabling the tracking of malic acid through metabolic pathways.
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| Cell Assay |
For in vitro cellular assays, cells are cultured in media containing (S)-Malic acid-d3. The cells metabolize the labeled compound through various pathways. After a defined incubation period, cells are harvested, and metabolites are extracted. The incorporation of deuterium into metabolites is analyzed using LC-MS/MS or GC-MS to determine metabolic fluxes and pathway activities.
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| Animal Protocol |
For in vivo animal studies, (S)-Malic acid-d3 can be administered to rodents via oral gavage or intraperitoneal injection. Blood or tissue samples are collected at various time points post-administration. The samples are processed and analyzed by mass spectrometry to track the distribution and metabolism of the labeled compound. This allows for the study of the TCA cycle and energy metabolism in vivo.
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| ADME/Pharmacokinetics |
(S)-Malic acid-d3 has a molecular weight of 137.10 and a molecular formula of C4H3D3O5. It is a deuterium-labeled compound. The compound is soluble in water. It should be stored according to the manufacturer's recommendations. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of (S)-Malic acid-d3 is not applicable, as it is used as a metabolic tracer at very low concentrations. The deuterium substitution is not expected to introduce new toxicities, as deuterium is a stable, non-radioactive isotope of hydrogen. The compound is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References | |
| Additional Infomation |
(S)-Malic acid-d3 (CAS 59652-74-3) is the deuterium-labeled form of (S)-Malic acid, a naturally occurring dicarboxylic acid that plays a role in the TCA cycle. It is used as a tracer in metabolic studies to track the metabolism of malic acid. It is available for research purposes only.
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| Molecular Formula |
C4H3D3O5
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|---|---|
| Molecular Weight |
137.11
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| Exact Mass |
135.027
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| CAS # |
59652-74-3
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| Related CAS # |
(S)-Malic acid;97-67-6
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| PubChem CID |
101429369
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
306.4±27.0 °C at 760 mmHg
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| Flash Point |
153.4±20.2 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.529
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| LogP |
-1.26
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| Hydrogen Bond Donor Count |
3
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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 |
129
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H][C@@](C(=O)O)(C([2H])([2H])C(=O)O)O
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| InChi Key |
BJEPYKJPYRNKOW-RBXBQAPRSA-N
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| InChi Code |
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
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| Chemical Name |
(3S)-2,2,3-trideuterio-3-hydroxybutanedioic 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 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 | 7.2934 mL | 36.4671 mL | 72.9341 mL | |
| 5 mM | 1.4587 mL | 7.2934 mL | 14.5868 mL | |
| 10 mM | 0.7293 mL | 3.6467 mL | 7.2934 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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