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3-Amino-4-methylpentanoic acid is an endogenous metabolite and positional isomer of L-leucine. As a beta-amino acid, it is naturally produced in humans via the metabolism of L-leucine by leucine 2,3-aminomutase. The compound has a role as a human metabolite. Its biological activity is related to amino acid metabolism. It may interact with amino acid transporters or metabolic enzymes.
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| ln Vitro |
In vitro, 3-Amino-4-methylpentanoic acid can promote the synthesis of aroma substances such as ethyl esters by Saccharomyces cerevisiae during wine fermentation. As a beta-amino acid and positional isomer of L-leucine, it is used in biochemical research. The compound is an endogenous metabolite. Its effects on yeast metabolism have been characterized. Further in vitro studies have evaluated its role in amino acid metabolism.
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| ln Vivo |
In vivo, 3-Amino-4-methylpentanoic acid is naturally produced in humans via the metabolism of L-leucine by leucine 2,3-aminomutase. It is an endogenous metabolite with a role in amino acid metabolism. The compound is a positional isomer of L-leucine. Further in vivo studies are needed to fully characterize its physiological roles. The compound is typically used in metabolic research.
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| Enzyme Assay |
In vitro enzyme assays for 3-Amino-4-methylpentanoic acid involve measuring leucine 2,3-aminomutase activity. Enzyme activity is assessed by monitoring the conversion of L-leucine to 3-amino-4-methylpentanoic acid or related metabolites. The compound serves as a product or substrate in these assays. For yeast fermentation studies, Saccharomyces cerevisiae cultures are treated with the compound and aroma substance production is measured by GC-MS or other analytical methods. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for 3-Amino-4-methylpentanoic acid are conducted in yeast cultures and mammalian cell lines. Saccharomyces cerevisiae is cultured in appropriate media and treated with the compound at varying concentrations. Aroma substance production is assessed by analytical methods. For mammalian cell studies, cells are treated with the compound and amino acid metabolism is assessed. 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-Amino-4-methylpentanoic acid in vivo studies are conducted in animal models for metabolic research. Animals are administered the compound via oral administration or injection. Amino acid levels in blood and tissues are measured by HPLC or LC-MS. Metabolic flux studies may be performed using stable isotope labeling. 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 |
3-Amino-4-methylpentanoic acid (MW 131.17 g/mol, C6H13NO2) is a small beta-amino acid. It is also known as DL-Homovaline or β-Leucine. 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. The compound is used in amino acid metabolism research.
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| Toxicity/Toxicokinetics |
3-Amino-4-methylpentanoic acid is generally well-tolerated as an endogenous metabolite. The compound is a naturally occurring beta-amino acid produced in humans. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
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| Additional Infomation |
β-Leucine is a β-amino acid formed by replacing valeric acid at the 3 and 4 positions with an amino group and a methyl group, respectively. It plays an important role in human metabolism.
3-Amino-4-methylpentanoic acid (DL-Homovaline, β-Leucine) is a beta-amino acid and positional isomer of L-leucine naturally produced in humans via leucine 2,3-aminomutase metabolism. It can promote aroma substance synthesis by Saccharomyces cerevisiae during wine fermentation. The compound is a pentanoic acid substituted at positions 3 and 4 by amino and methyl groups. Its molecular formula is C6H13NO2 with a molecular weight of 131.17 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C6H13NO2
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| Molecular Weight |
131.1729
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| Exact Mass |
131.094
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| CAS # |
5699-54-7
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| PubChem CID |
193411
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
232.0±23.0 °C at 760 mmHg
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| Melting Point |
206-209ºC
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| Flash Point |
94.1±22.6 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.463
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| LogP |
0.37
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
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| Complexity |
101
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GLUJNGJDHCTUJY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
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| Chemical Name |
3-amino-4-methylpentanoic 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 : ~1 mg/mL (~7.62 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 | 7.6237 mL | 38.1185 mL | 76.2369 mL | |
| 5 mM | 1.5247 mL | 7.6237 mL | 15.2474 mL | |
| 10 mM | 0.7624 mL | 3.8118 mL | 7.6237 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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