| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
As an amino acid derivative, β-Chloro-D-alanine hydrochloride does not have a defined primary drug target in the context of therapeutic development. However, as a chlorinated alanine analogue, it may be used in research to study amino acid metabolism, enzyme-substrate interactions, and peptide stability. The chlorine substituent can modulate the compound's physicochemical properties, lipophilicity, and reactivity. The D-configuration may influence the compound's interactions with enzymes and receptors compared to the L-enantiomer. The compound can serve as a building block for synthesizing chlorinated peptides and as a tool for studying halogenation effects in biological systems.
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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 studies on amino acid derivatives, including this chlorinated alanine analogue, have demonstrated their capacity to influence the release of anabolic hormones, modulate fuel availability for cellular activity, enhance mental performance under stress-related conditions, and prevent exercise-induced muscle damage. As a chlorinated alanine derivative, this compound may be used in cell-based assays to investigate amino acid transport mechanisms, peptide stability, and the effects of chlorination on peptide biological activity. The compound can also be utilized in studies examining the role of halogenation in enzyme recognition and protein function. |
| ln Vivo |
In vivo studies on amino acid derivatives have shown that 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. As a chlorinated alanine analogue, this compound may be administered in animal studies to evaluate the effects of halogenated amino acids on biological systems. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied as a research chemical for peptide synthesis rather than as a therapeutic agent.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve studies with purified enzymes to evaluate the effects of chlorination on enzymatic activity. Standard protocols include incubating varying concentrations of the test compound with the enzyme source in appropriate buffer systems, followed by measurement of enzymatic activity using spectrophotometric or chromatographic detection methods. For peptide synthesis applications, the compound is evaluated in coupling reactions using standard peptide synthesis chemistry to assess reactivity and coupling efficiency. The hydrochloride salt form enhances solubility.
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| Cell Assay |
Cell-based assays for this chlorinated alanine derivative typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular metabolism. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. For peptide synthesis applications, the compound is used as a building block for synthesizing chlorinated alanine-containing peptides.
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| Animal Protocol |
In vivo animal studies for amino acid derivatives typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 10-100 mg/kg body weight, with observations over 1-14 days depending on the study objectives. For studies evaluating the effects of chlorinated amino acids, animals may be administered the compound and monitored for changes in metabolic parameters or toxicity. Pharmacodynamic assessments may include blood sampling for compound analysis, tissue collection for histopathological examination, and monitoring of body weight. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this chlorinated alanine derivative can be inferred from structurally related compounds. As a small molecule (molecular weight 160.00 g/mol), it is expected to have reasonable oral bioavailability. The chlorine substituent may influence the compound's lipophilicity and metabolic stability. The hydrochloride salt form enhances aqueous solubility. For in vivo administration, formulations using suitable vehicles may be employed. The compound should be stored as powder at -20°C for long-term preservation. Definitive PK parameters such as half-life, Cmax, and AUC require formal studies.
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| Toxicity/Toxicokinetics |
Toxicological data for this specific compound are limited as it is supplied for research use only and not intended for human therapeutic applications. Chlorinated compounds may have altered toxicity profiles due to the presence of chlorine. Appropriate safety precautions should be observed during handling, including the use of personal protective equipment and work in well-ventilated areas. The compound may cause skin and eye irritation upon contact. Acute toxicity studies in animal models would be required to establish LD₅₀ values and no-observed-adverse-effect levels. For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays.
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| References | |
| Additional Infomation |
β-Chloro-D-alanine hydrochloride is a chlorinated alanine derivative featuring a chlorine substituent at the β-carbon. D-Amino acid-containing peptides can exhibit increased resistance to proteolysis and altered biological activities compared to their L-counterparts. This compound is used as a building block in peptide synthesis for introducing chlorinated alanine residues into peptide sequences. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes.
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| Molecular Formula |
C3H7CL2NO2
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|---|---|
| Molecular Weight |
160.00
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| Exact Mass |
158.985
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| CAS # |
51887-88-8
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| PubChem CID |
11961671
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| Appearance |
White to off-white solid powder
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| LogP |
1.139
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| Hydrogen Bond Donor Count |
3
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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 |
75.3
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC([H])([H])[C@]([H])(C(=O)O[H])N([H])[H].Cl[H]
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| InChi Key |
IENJPSDBNBGIEL-HSHFZTNMSA-N
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| InChi Code |
InChI=1S/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H/t2-;/m1./s1
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| Chemical Name |
(2S)-2-amino-3-chloropropanoic acid;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) |
H2O: ≥ 100 mg/mL (625.00 mM)
DMSO: 100 mg/mL (625.00 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.63 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 2: ≥ 2.5 mg/mL (15.63 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.2500 mL | 31.2500 mL | 62.5000 mL | |
| 5 mM | 1.2500 mL | 6.2500 mL | 12.5000 mL | |
| 10 mM | 0.6250 mL | 3.1250 mL | 6.2500 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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