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| Other Sizes |
| Targets |
Methyl 4-aminobutanoate hydrochloride does not have a defined pharmacological target as it is a biochemical reagent and GABA ester derivative. The compound is an essential compound in neurological and biochemical research due to its role as a GABA ester derivative. As a GABA precursor, it may be used to study GABAergic signaling pathways. Its primary applications are in biochemical research rather than as a therapeutic agent.
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| ln Vitro |
A methyl ester compound called methyl 4-aminobutanoate (hydrochloride) is created when methanol and aminobutyric acid condense.
No specific in vitro pharmacological activity data are available for Methyl 4-aminobutanoate hydrochloride as a drug candidate. In research settings, the compound is used as a biochemical reagent for studying GABA-related pathways. Its activity is assessed in terms of its role as a GABA precursor and its chemical properties rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Methyl 4-aminobutanoate hydrochloride as a therapeutic agent. The compound is used as a biochemical reagent and GABA ester derivative. It is not administered to animals for pharmacological evaluation. Its applications are limited to biochemical research.
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| Enzyme Assay |
For non-cellular assays, Methyl 4-aminobutanoate hydrochloride is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. Purity is typically ≥99%. The compound has a molecular weight of 153.61 and formula C₅H₁₂ClNO₂. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature.
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| Cell Assay |
For in vitro cell-based studies, Methyl 4-aminobutanoate hydrochloride can be used to study GABAergic signaling. Cells are cultured under standard conditions and treated with the compound to evaluate effects on GABA receptors and related pathways. The compound is typically dissolved in aqueous buffers and diluted in cell culture medium. Appropriate controls should be included in the experimental design.
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| Animal Protocol |
For in vivo animal studies, Methyl 4-aminobutanoate hydrochloride can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for amino acid derivatives should be followed.
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| ADME/Pharmacokinetics |
Methyl 4-aminobutanoate hydrochloride has a molecular weight of 153.61 and formula C₅H₁₂ClNO₂. Purity: typically ≥99%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in water and aqueous buffers. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Methyl 4-aminobutanoate hydrochloride is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Methyl 4-aminobutanoate hydrochloride (CAS 13031-60-2) is also known as GABA methyl ester hydrochloride and γ-aminobutyric acid methyl ester hydrochloride. It is an essential compound in neurological and biochemical research due to its role as a GABA ester derivative. The compound is used as a biochemical reagent for studying GABAergic signaling pathways. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C5H12CLNO2
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|---|---|
| Molecular Weight |
153.61
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| Exact Mass |
153.055
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| CAS # |
13031-60-2
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| PubChem CID |
2756383
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| Appearance |
White to off-white solid powder
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| Density |
0.99g/cm3
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| Boiling Point |
164.8ºC at 760mmHg
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| Melting Point |
120-125ºC
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| Flash Point |
38.7ºC
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| Vapour Pressure |
1.93mmHg at 25°C
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| LogP |
1.4
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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 |
4
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| Heavy Atom Count |
9
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| Complexity |
72.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)CCCN.Cl
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| InChi Key |
WPGPRLVPWACBHW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
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| Chemical Name |
methyl 4-aminobutanoate;hydrochloride
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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) |
DMSO: ~100 mg/mL (~651.0 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (16.27 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5100 mL | 32.5500 mL | 65.0999 mL | |
| 5 mM | 1.3020 mL | 6.5100 mL | 13.0200 mL | |
| 10 mM | 0.6510 mL | 3.2550 mL | 6.5100 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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