| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Methyl 2-amino-3-chloropropanoate hydrochloride does not have a well-defined primary drug target. However, its derivatives have shown potential as immunosuppressive drugs, with one notable compound (FTY720) demonstrating considerable activity. The compound's mechanism of action may involve interactions with various biological pathways. It has also been shown to inhibit the growth of Mycobacterium tuberculosis, possibly by reacting with D-serine, which is essential for bacterial cell wall synthesis. This suggests potential targets within bacterial metabolic pathways, specifically those involving serine metabolism.
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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].
In vitro activity of Methyl 2-amino-3-chloropropanoate hydrochloride has been demonstrated against Mycobacterium tuberculosis, where it inhibits bacterial growth. This activity is thought to be due to its ability to react with D-serine, a compound critical for cell wall synthesis in these bacteria. Additionally, its derivatives have shown potential as immunosuppressive agents. The compound's in vitro activity is primarily related to its chemical reactivity and its role as a precursor for other biologically active molecules. Standard in vitro assays would involve testing its antimicrobial activity against various bacterial strains. |
| ln Vivo |
In vivo activity data for Methyl 2-amino-3-chloropropanoate hydrochloride is not well-documented. The compound is primarily a research chemical and is not a drug candidate itself. Its derivatives, such as FTY720, have shown in vivo activity as immunosuppressive drugs for potential use in organ transplantation. However, the specific in vivo effects of the parent compound have not been characterized. Further studies would be needed to evaluate its pharmacokinetics and pharmacodynamics in animal models.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for Methyl 2-amino-3-chloropropanoate hydrochloride as it is not a direct pharmacological agent. However, a general protocol for studying its mechanism of action could involve enzyme activity assays. For example, to investigate its effect on bacterial cell wall synthesis, an assay could measure the activity of enzymes involved in D-serine metabolism. Bacterial cell lysates would be incubated with the compound, and the activity of target enzymes would be measured spectrophotometrically by monitoring the consumption of substrate or production of product.
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| Cell Assay |
Cell-based assays for Methyl 2-amino-3-chloropropanoate hydrochloride would focus on its antimicrobial activity. A standard protocol is the broth microdilution assay to determine the minimum inhibitory concentration (MIC). In this assay, serial dilutions of the compound are prepared in 96-well plates, and a standardized inoculum of Mycobacterium tuberculosis or other test bacteria is added. The plates are incubated, and the MIC is determined as the lowest concentration of compound that visibly inhibits bacterial growth. This assay is commonly used to evaluate the antimicrobial potential of new chemical entities.
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| Animal Protocol |
In vivo animal experiments for Methyl 2-amino-3-chloropropanoate hydrochloride are not commonly performed. If the compound were to be tested in vivo, a mouse model of bacterial infection could be used. For example, mice would be infected with a lethal dose of Mycobacterium tuberculosis, and then treated with various doses of the compound administered orally or intraperitoneally. Survival rates, bacterial load in organs, and histopathological changes would be assessed to determine the compound's in vivo efficacy.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Methyl 2-amino-3-chloropropanoate hydrochloride have not been characterized. As a research chemical, it is not intended for therapeutic use. Its molecular weight of 174.03 g/mol suggests it could be absorbed orally. However, no data on its absorption, distribution, metabolism, or excretion are available. The compound's stability and solubility would influence its formulation. Any pharmacokinetic studies would be necessary if the compound were to be developed further as a drug candidate.
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| Toxicity/Toxicokinetics |
Toxicity data for Methyl 2-amino-3-chloropropanoate hydrochloride is limited. As a chlorinated compound, it may have potential for toxicity. However, specific toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling this compound. It is classified for research use only and is not intended for human or veterinary use. No information is available regarding its acute, chronic, or reproductive toxicity.
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| References | |
| Additional Infomation |
Methyl 2-amino-3-chloropropanoate hydrochloride is a synthetic amino acid derivative used primarily as a research chemical and building block. It has shown in vitro activity against Mycobacterium tuberculosis and its derivatives have immunosuppressive potential. The compound is commercially available for research purposes only and is not approved for clinical use. Its reactivity makes it a valuable intermediate for the synthesis of various biologically active molecules, including potential drug candidates. Further research is needed to explore its full pharmacological potential.
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| Molecular Formula |
C4H9CL2NO2
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|---|---|
| Molecular Weight |
174.03
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| Exact Mass |
173.001
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| CAS # |
33646-31-0
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| PubChem CID |
13050341
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| Appearance |
White to off-white solid powder
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| Density |
1.212g/cm3
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| Boiling Point |
164.4ºC at 760 mmHg
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| Melting Point |
124-126°C
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| Flash Point |
53.2ºC
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| Index of Refraction |
1.453
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| LogP |
1.227
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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 |
86.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC([H])([H])C([H])(C(=O)OC([H])([H])[H])N([H])[H].Cl[H]
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| InChi Key |
POPBCSXDEXRDSX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H
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| Chemical Name |
methyl 2-amino-3-chloropropanoate;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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 5.7461 mL | 28.7307 mL | 57.4614 mL | |
| 5 mM | 1.1492 mL | 5.7461 mL | 11.4923 mL | |
| 10 mM | 0.5746 mL | 2.8731 mL | 5.7461 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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