| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
α-Isopropylmalate does not have a defined pharmacological receptor target. It is a metabolic intermediate in leucine biosynthesis and functions as a regulator of gene expression in yeast. In mammalian systems, it has been studied for its effects on cellular processes. The compound increases LEU3 protein-dependent transcription and enhances reporter gene expression in preadipocytes. Its targets are primarily metabolic enzymes and transcriptional regulators involved in amino acid metabolism.
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| ln Vitro |
α-Isopropylmalate (500 μM) enhances transcription that is dependent on the LEU3 protein (Leu3p)[1]. In preadipocytes (30A5), α-Isopropylmalate (10 mM, 48 h) boosts reporter gene expression[2].
In vitro, α-isopropylmalate (500 μM) increases LEU3 protein (Leu3p)-dependent transcription. At 10 mM for 48 hours, it increases reporter gene expression in preadipocytes (30A5 cells). The compound inhibits PM2.5-treated dermal fibroblasts' excessive reactive oxygen species production and stress kinase activation, promotes primary ciliogenesis, and restores PM2.5-induced primary cilia defects in dermal fibroblasts. These activities suggest potential protective effects against environmental stressors. |
| ln Vivo |
In vivo, α-isopropylmalate is a naturally occurring metabolic intermediate in leucine biosynthesis. Its role as a precursor in amino acid metabolism makes it important for protein synthesis and cellular function. No specific in vivo pharmacological activities have been reported for this compound beyond its metabolic functions. It is primarily a research tool for studying leucine biosynthesis and metabolic regulation.
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| Enzyme Assay |
Non-cellular assays for α-isopropylmalate would involve enzymatic activity measurements related to leucine biosynthesis. Isopropylmalate synthase and isopropylmalate dehydrogenase activities can be assessed using spectrophotometric assays measuring substrate conversion or cofactor consumption. The compound's role as a metabolic intermediate can be studied using in vitro enzyme assays with purified enzymes. Gene expression regulation can be studied using cell-free transcription assays.
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| Cell Assay |
Cell-based assays for α-isopropylmalate would involve evaluating its effects on gene expression and cellular metabolism. The compound's ability to increase LEU3-dependent transcription can be assessed using reporter gene assays in yeast. Its effects on preadipocytes can be evaluated using reporter gene expression assays. Protective effects against PM2.5-induced oxidative stress can be assessed in dermal fibroblasts by measuring reactive oxygen species production, stress kinase activation, and primary ciliogenesis.
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| Animal Protocol |
In vivo animal studies for α-isopropylmalate are not well documented, as the compound is primarily a research tool for studying metabolic pathways. It is a naturally occurring metabolite and is not typically administered to animals as a test article for pharmacological evaluation. Its role in research is as a metabolic intermediate and regulator of gene expression.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for α-isopropylmalate are limited. The compound is soluble in water at ≥250 mg/mL, indicating high aqueous solubility. As a small polar molecule with a molecular weight of 176.17 g/mol, it would be expected to be readily absorbed and distributed. However, no specific pharmacokinetic parameters have been characterized for this compound, as it is a metabolic intermediate rather than a drug candidate.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for α-isopropylmalate in the available literature. As a naturally occurring metabolic intermediate, it is generally considered to have a favorable safety profile. The compound is for research use only and is not for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
2-Isopropylmalic acid is a dicarboxylic acid, a product of the substitution of the hydrogen at the 2-position of malic acid (2-hydroxysuccinic acid) with an isopropyl group. It is a metabolite. It is a dicarboxylic acid, a 3-hydroxycarboxylic acid, and a 2-hydroxycarboxylic acid. Functionally, it is related to succinic acid. It is the conjugate acid of 2-isopropylmalate (2-) and 2-isopropylmalate. 2-Isopropylmalic acid is a metabolite found or produced in Escherichia coli (K12 strain, MG1655 strain). It has also been reported to be present in Sorbus sorbus, Lotus styrax, and other organisms with relevant data.
α-Isopropylmalate is a research compound, not an approved pharmaceutical drug. It is the leucine biosynthetic precursor in yeast and plays a role in various biochemical pathways, particularly in amino acid synthesis and as an intermediate in metabolic processes. The compound increases LEU3 protein-dependent transcription and increases reporter gene expression in preadipocytes. It inhibits PM2.5-treated dermal fibroblasts' oxidative stress and promotes primary ciliogenesis. It is a valuable tool for studying leucine biosynthesis and metabolic regulation. |
| Molecular Formula |
C7H12O5
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|---|---|
| Molecular Weight |
176.17
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| Exact Mass |
176.068
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| CAS # |
3237-44-3
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| PubChem CID |
77
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| Appearance |
White to off-white solid powder
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| Density |
1.342g/cm3
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| Boiling Point |
306.4ºC at 760mmHg
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| Melting Point |
144-146ºC(lit.)
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| Flash Point |
153.3ºC
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| LogP |
-0.2
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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 |
4
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| Heavy Atom Count |
12
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| Complexity |
198
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C(CC(=O)O)(C(=O)O)O
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| InChi Key |
BITYXLXUCSKTJS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
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| Chemical Name |
2-hydroxy-2-propan-2-ylbutanedioic 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O: ≥ 250 mg/mL (1419.08 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.6763 mL | 28.3817 mL | 56.7634 mL | |
| 5 mM | 1.1353 mL | 5.6763 mL | 11.3527 mL | |
| 10 mM | 0.5676 mL | 2.8382 mL | 5.6763 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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