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| Other Sizes |
| Targets |
Ethylmalonic acid targets metabolic pathways involved in fatty acid metabolism. As a metabolite of L-isoleucine and L-alloisoleucine, it is formed via an R-2-oxo-3-methylvaleric acid intermediate. The compound is identified in urine of patients with short-chain acyl-CoA dehydrogenase deficiency. It is used as a diagnostic agent for ethylmalonic encephalopathy, a rare autosomal recessive inborn error of metabolism.
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| ln Vitro |
In vitro, Ethylmalonic acid is a dicarboxylic acid and metabolite. It is identified in the urine of patients with short-chain acyl-CoA dehydrogenase deficiency. The compound is used as a diagnostic agent for ethylmalonic encephalopathy. It is an important organic intermediate used in agrochemical, pharmaceutical, and dyestuff fields. Ethylmalonic acid is non-carcinogenic.
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| ln Vivo |
In vivo, Ethylmalonic acid is identified in the urine of patients with short-chain acyl-CoA dehydrogenase deficiency. It is used as a diagnostic agent for ethylmalonic encephalopathy. The compound is a metabolite of L-isoleucine and L-alloisoleucine. Further in vivo studies have evaluated its role as a biomarker for metabolic disorders.
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| Enzyme Assay |
In vitro enzyme assays for Ethylmalonic acid involve measuring its role in fatty acid metabolism. Enzymes involved in branched-chain amino acid metabolism are assessed using the compound as a metabolite. For diagnostic applications, the compound is measured in urine or blood samples by GC-MS or LC-MS. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for Ethylmalonic acid are conducted in various cell lines to study fatty acid metabolism. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Metabolite levels are measured by HPLC or LC-MS. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
Ethylmalonic acid in vivo studies are conducted in animal models of metabolic disorders. Animals are treated with Ethylmalonic acid via oral administration or injection. Metabolite levels in blood and urine are measured. For diagnostic studies, the compound is used as a biomarker for metabolic disorders. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
Ethylmalonic acid (MW 132.11-132.115 g/mol, C5H8O4) is a dicarboxylic acid. It appears as a white solid. The compound is soluble in organic solvents. It is stable under recommended storage conditions. Ethylmalonic acid is an important organic intermediate used in agrochemical, pharmaceutical, and dyestuff fields. It is non-carcinogenic.
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| Toxicity/Toxicokinetics |
Toxicity Summary
Ethylmalonic acid is present in the urine of patients with short-chain acyl-CoA dehydrogenase deficiency, a fatty acid metabolism disorder. Ethylmalonic acid is generally well-tolerated as a metabolite and diagnostic agent. The compound is a dicarboxylic acid and metabolite with established safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development. |
| References |
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| Additional Infomation |
Ethylmalonic acid is a dicarboxylic acid obtained by replacing one methylene hydrogen atom of malonic acid with an ethyl group. It is a human metabolite. It is both a dicarboxylic acid and a dicarboxylic acid fatty acid. Its function is related to malonic acid. It is the conjugate acid of ethylmalonic acid ester and ethylmalonic acid ester (2-). Ethylmalonic acid has been reported in fruit flies, Arabidopsis thaliana, and other organisms with relevant data. Ethylmalonic acid has also been detected in the urine of patients with short-chain acyl-CoA dehydrogenase deficiency, a fatty acid metabolism disorder.
Ethylmalonic acid is a dicarboxylic acid and metabolite of L-isoleucine and L-alloisoleucine identified in urine of patients with short-chain acyl-CoA dehydrogenase deficiency. It is used as a diagnostic agent for ethylmalonic encephalopathy. The compound is an organic intermediate used in agrochemical, pharmaceutical, and dyestuff fields. Its molecular formula is C5H8O4 with a molecular weight of 132.11-132.115 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C5H8O4
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|---|---|
| Molecular Weight |
132.1146
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| Exact Mass |
132.042
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| CAS # |
601-75-2
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| Related CAS # |
Ethylmalonic acid-d3;70907-93-6;Ethylmalonic acid-d5;66311-22-6
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| PubChem CID |
11756
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| Appearance |
White to off-white solid powder
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| Density |
1.311 g/cm3
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| Boiling Point |
322.2ºC at 760 mmHg
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| Melting Point |
109-114 ºC
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| Flash Point |
162.9ºC
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| LogP |
0.181
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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 |
3
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| Heavy Atom Count |
9
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| Complexity |
115
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
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| Chemical Name |
2-ethylpropanedioic 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 : ~250 mg/mL (~1892.36 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (15.74 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 20.8 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: ≥ 2.08 mg/mL (15.74 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 20.8 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: ≥ 2.08 mg/mL (15.74 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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