| Size | Price | Stock | Qty |
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| 1g |
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| Other Sizes |
| Targets |
3-Methylglutaric acid targets mitochondrial function and Na+, K+-ATPase as a non-selective inhibitor. It is a potent, reversible inhibitor of 5-lipoxygenase, blocking leukotriene synthesis with an IC50 of 0.7 μM in intact human polymorphonuclear leukocytes. The compound induces reactive oxygen species (ROS) generation. It is a leucine metabolite associated with metabolic disorders.
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| ln Vitro |
In vitro, 3-Methylglutaric acid inhibits Na+, K+-ATPase with a 30% inhibition rate on rat cortical synaptosomes. It is a potent, reversible inhibitor of 5-lipoxygenase with an IC50 of 0.7 μM. The compound induces ROS generation. It is a leucine metabolite. Its effects on mitochondrial function and ion pumps have been characterized in various in vitro systems.
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| ln Vivo |
In vivo, 3-Methylglutaric acid attenuates leukotriene B4 synthesis, prevents carrageenan-induced pleurisy, and protects against platelet-activating factor-induced shock in mice when given intraperitoneally. It induces oxidative damage by generating ROS, disrupting mitochondrial membrane potential, and inhibiting ion pump function. The compound is used as a tool compound for studying metabolic disease neuropathology and oxidative stress-mediated neurodegeneration.
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| Enzyme Assay |
In vitro enzyme assays for 3-Methylglutaric acid involve measuring Na+, K+-ATPase inhibition. ATPase activity is assessed by measuring inorganic phosphate release. The compound is added at varying concentrations, and inhibition rates are calculated (30% inhibition on rat cortical synaptosomes). 5-Lipoxygenase inhibition is assessed by measuring leukotriene synthesis, with IC50 values calculated from dose-response curves (IC50 = 0.7 μM). ROS generation is measured using fluorescent probes.
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| Cell Assay |
In vitro cell-based assays for 3-Methylglutaric acid are conducted in various cell types. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Na+, K+-ATPase activity is measured in cell lysates. ROS levels are measured using fluorescent probes. Mitochondrial membrane potential is assessed using fluorescent dyes. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
3-Methylglutaric acid in vivo studies are conducted in animal models of inflammation and metabolic disorders. Animals are treated with the compound via intraperitoneal injection. For anti-inflammatory studies, carrageenan-induced pleurisy and platelet-activating factor-induced shock models are used. Leukotriene B4 synthesis is measured. For metabolic studies, oxidative stress markers and mitochondrial function are assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biomarker analysis.
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| ADME/Pharmacokinetics |
3-Methylglutaric acid (MW 146.14 g/mol, C6H10O4) is a branched-chain dicarboxylic acid. It is a leucine metabolite. The compound is soluble in water and other appropriate solvents. It is stable under recommended storage conditions. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. 3-Methylglutaric acid is used in metabolic and neurodegenerative research.
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| Toxicity/Toxicokinetics |
3-Methylglutaric acid is generally well-tolerated in preclinical studies. The compound is a leucine metabolite with established safety profiles. Its mitochondrial and Na+, K+-ATPase inhibitory activities have been demonstrated with acceptable 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.
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| References | |
| Additional Infomation |
3-Methylglutaric acid is an α,ω-dicarboxylic acid formed by the substitution of a methyl group at the 3-position of glutaric acid. It is a metabolite functionally related to glutaric acid. 3-Methylglutaric acid has been reported to be detected in mangosteen (Garcinia mangostana) and Salmonella enterica, and relevant data are available for reference.
3-Methylglutaric acid is a C6 branched-chain dicarboxylic acid and leucine metabolite associated with HMGCL and AUH enzyme deficiencies. It is a non-selective inhibitor of mitochondrial function and Na+, K+-ATPase (30% inhibition) and a potent 5-lipoxygenase inhibitor (IC50 = 0.7 μM). The compound induces ROS generation and is used in metabolic and neurodegenerative research. Its molecular formula is C6H10O4 with a molecular weight of 146.14 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C6H10O4
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|---|---|
| Molecular Weight |
146.1412
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| Exact Mass |
146.057
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| CAS # |
626-51-7
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| Related CAS # |
3-Methylglutaric acid-d4;1219798-68-1
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| PubChem CID |
12284
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
332.7±0.0 °C at 760 mmHg
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| Melting Point |
80 - 82 °C
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| Flash Point |
148.8±16.3 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.474
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| LogP |
-0.69
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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 |
4
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| Heavy Atom Count |
10
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| Complexity |
125
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(CC(=O)O)CC(=O)O
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| InChi Key |
XJMMNTGIMDZPMU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
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| Chemical Name |
3-methylpentanedioic 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 (~684.28 mM)
H2O : ≥ 100 mg/mL (~684.28 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.11 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 (17.11 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 (17.11 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 | 6.8428 mL | 34.2138 mL | 68.4275 mL | |
| 5 mM | 1.3686 mL | 6.8428 mL | 13.6855 mL | |
| 10 mM | 0.6843 mL | 3.4214 mL | 6.8428 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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