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|---|---|---|
| Other Sizes |
| Targets |
Dimethylmalonic acid does not have a specific well-defined pharmacological target, as it is primarily used as a chemical intermediate and research reagent. As a dicarboxylic acid, it can interact with enzymes involved in fatty acid metabolism. It is a metabolite and may be involved in energy metabolism. However, it is not typically considered a drug target compound.
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| ln Vitro |
Dimethylmalonic acid exhibits in vitro activity primarily as a chemical reagent and building block. It is used in organic synthesis for the preparation of various compounds. In biological research, it may be used as a standard in metabolomics studies. Its effects on metabolic pathways can be studied in cell culture models. These assays are used in biochemistry and metabolomics research.
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| ln Vivo |
Dimethylmalonic acid is not typically used as a therapeutic agent in vivo. However, as a metabolite, it may be involved in various physiological processes. In toxicological studies, it may be evaluated for its effects on metabolism and excretion. Its metabolic fate in vivo involves conversion to other metabolites via the citric acid cycle. These studies help define the safety profile of branched-chain dicarboxylic acids.
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| Enzyme Assay |
Dimethylmalonic acid does not have specific enzyme/receptor binding assays associated with it, as it is not a typical drug target compound. However, its effects on metabolic pathways can be studied using cell culture models or in vitro enzyme assays.
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| Cell Assay |
Dimethylmalonic acid is not typically used in cellular assays as a pharmacological agent. However, its effects on metabolism can be studied in cell culture models. Cytotoxicity assays can be performed to assess the compound's effects on cell viability. Metabolic flux analysis can be used to study its effects on cellular metabolism. These assays are primarily used in metabolomics and biochemical research.
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| Animal Protocol |
In vivo animal experiments with dimethylmalonic acid are primarily conducted for metabolic and toxicological studies. Rodent models are used to assess its metabolism, distribution, and excretion. The compound may be administered orally or by injection, and its levels in plasma, urine, and tissues are measured. These studies help define the compound's metabolic fate and safety profile.
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| ADME/Pharmacokinetics |
Dimethylmalonic acid is a small, polar molecule with a molecular weight of 132.12. It is soluble in water and organic solvents. It is absorbed after oral administration and is metabolized via the citric acid cycle. The compound is excreted in urine. Its pharmacokinetic profile is typical for small dicarboxylic acids.
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| Toxicity/Toxicokinetics |
Dimethylmalonic acid is considered to have low toxicity based on its use as a research compound and its occurrence as an endogenous metabolite. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Dimethylmalonic acid is a dicarboxylic acid formed when both methylene hydrogen atoms in malonic acid are replaced by methyl groups. It can inhibit fatty acid synthesis.
Dimethylmalonic acid is a branched-chain dicarboxylic acid and a derivative of malonic acid. It is also known as 2,2-dimethylpropanedioic acid. The compound is a short-chain dicarboxylic acid found in human serum. It is also a volatile organic compound detected in alveolar breath. It is available in high purity (≥98%) for research applications. Its role as a building block in organic synthesis makes it a valuable tool in chemical research. |
| Molecular Formula |
C5H8O4
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|---|---|
| Molecular Weight |
132.1146
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| Exact Mass |
132.042
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| CAS # |
595-46-0
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| PubChem CID |
11686
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
310.2±25.0 °C at 760 mmHg
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| Melting Point |
191-193 °C(lit.)
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| Flash Point |
155.6±19.7 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.476
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| LogP |
0.14
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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 |
9
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| Complexity |
131
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OREAFAJWWJHCOT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
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| Chemical Name |
2,2-dimethylpropanedioic 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 : ~100 mg/mL (~756.94 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.92 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (18.92 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (18.92 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.5694 mL | 37.8472 mL | 75.6945 mL | |
| 5 mM | 1.5139 mL | 7.5694 mL | 15.1389 mL | |
| 10 mM | 0.7569 mL | 3.7847 mL | 7.5694 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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