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| Other Sizes |
| Targets |
As a protected alanine derivative, H-Ala-OMe.HCl does not have a specific biological target. Its primary utility is as a chemical building block in organic synthesis, particularly in peptide chemistry. The compound serves as a protected alanine unit that can be incorporated into peptide chains while the methyl ester protects the carboxyl group. Alanine is a non-essential amino acid, but in its protected form, the compound is not designed to interact with biological receptors.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
H-Ala-OMe.HCl does not exhibit pharmacological activity in vitro. As a protected amino acid ester, it is a synthetic intermediate rather than a bioactive compound. In vitro studies using this compound focus on its chemical reactivity in peptide bond formation reactions. The compound may be used as a substrate in enzymatic assays to study esterase activity. Its role in research is almost exclusively as a reagent for organic synthesis. |
| ln Vivo |
H-Ala-OMe.HCl is not a pharmacologically active compound and therefore does not have defined in vivo activity as a drug. When administered to animals, the compound would likely be metabolized to release alanine. However, the compound is not used therapeutically, and its in vivo effects would be limited to those of the released alanine. Its primary value remains in synthetic chemistry.
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| Enzyme Assay |
In vitro enzyme assays for H-Ala-OMe.HCl are typically designed to study esterase activity. A standard protocol involves incubating the compound with an enzyme preparation in a suitable buffer at physiological pH and temperature. The hydrolysis of the methyl ester releases alanine and methanol, which can be quantified by HPLC, GC, or mass spectrometry. These assays are used to characterize the substrate specificity of esterases or to screen for enzyme inhibitors.
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| Cell Assay |
In vitro cellular assays using H-Ala-OMe.HCl are limited due to the compound's role as a synthetic intermediate. However, it can be used in cell culture studies to investigate the intracellular delivery of alanine via ester hydrolysis. Cells are cultured in media supplemented with the compound, and cellular uptake, ester hydrolysis, and alanine release are monitored. The effects of increased intracellular alanine on cellular metabolism can be assessed in cell lines such as hepatocytes.
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| Animal Protocol |
In vivo animal studies with H-Ala-OMe.HCl are primarily conducted in the context of nutritional or metabolic research. A typical protocol involves oral or intraperitoneal administration of the compound to rodents. Blood samples are collected to measure alanine levels, allowing assessment of the compound's absorption and hydrolysis. The compound's ability to elevate plasma alanine concentrations and its effects on alanine metabolism may be evaluated.
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| ADME/Pharmacokinetics |
As an alanine methyl ester, H-Ala-OMe.HCl is expected to be absorbed after oral administration. The compound is likely hydrolyzed by esterases to release alanine and methanol. The methyl ester may enhance lipophilicity compared to free alanine, potentially improving oral bioavailability. Following hydrolysis, alanine enters the endogenous amino acid pool. The compound's pharmacokinetic properties have not been fully characterized.
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| Toxicity/Toxicokinetics |
The hydrochloride salt of alanine methyl ester is generally considered to have low toxicity. The compound may cause irritation upon contact with skin, eyes, or mucous membranes. Standard laboratory safety precautions are recommended. No significant systemic toxicity is anticipated at typical research doses, as the compound is rapidly metabolized to alanine and methanol.
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| References | |
| Additional Infomation |
H-Ala-OMe.HCl (L-Alanine methyl ester hydrochloride, CAS 2491-20-5) is a protected amino acid derivative used as a building block in peptide synthesis. Its chemical formula is C4H9NO2·HCl and molecular weight is 139.58. The compound features a methyl ester-protected carboxyl group. It is intended for research use only and is not for human therapeutic applications.
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| Molecular Formula |
C4H9NO2.HCL
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|---|---|
| Molecular Weight |
139.5807
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| Exact Mass |
139.04
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| CAS # |
2491-20-5
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| PubChem CID |
2733257
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| Appearance |
White to off-white solid powder
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| Boiling Point |
101.5ºC at 760 mmHg
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| Melting Point |
109-111 °C(lit.)
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| Vapour Pressure |
35mmHg at 25°C
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| Index of Refraction |
6.5 ° (C=2, MeOH)
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| LogP |
1.008
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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 |
2
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| Heavy Atom Count |
8
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| Complexity |
72.1
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(=O)OC)N.Cl
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| InChi Key |
IYUKFAFDFHZKPI-DFWYDOINSA-N
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| InChi Code |
InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
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| Chemical Name |
methyl (2S)-2-aminopropanoate;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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 7.1644 mL | 35.8218 mL | 71.6435 mL | |
| 5 mM | 1.4329 mL | 7.1644 mL | 14.3287 mL | |
| 10 mM | 0.7164 mL | 3.5822 mL | 7.1644 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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