| Size | Price | Stock | Qty |
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| Targets |
As a halogenated tyrosine analogue, this compound does not have a defined primary drug target in the context of therapeutic development. However, as a tyrosine derivative, it may be used in research to study tyrosine metabolism, protein synthesis, and enzyme-substrate interactions. Tyrosine is a precursor for catecholamines (dopamine, norepinephrine, epinephrine) and thyroid hormones. The chlorine substituents can modulate the compound's physicochemical properties, including lipophilicity and binding affinity to receptors and enzymes that recognize tyrosine or its metabolites. The compound can serve as a building block for synthesizing peptides with modified pharmacological properties and as a tool for studying halogenation effects on biological activity.
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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 halogenated tyrosine 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 tyrosine derivative, this compound may be used in cell-based assays to investigate amino acid transport mechanisms, neurotransmitter synthesis, and the effects of halogenation on peptide stability and biological activity. The compound can also be utilized in studies examining the role of tyrosine in protein phosphorylation and as a precursor for catecholamine synthesis. |
| 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 halogenated tyrosine analogue, this compound may be administered in animal studies to evaluate the effects of halogenated amino acids on neurological function or to study the pharmacokinetics and bioavailability of modified amino acids. 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 or receptors to evaluate the effects of halogenation on binding affinity and enzymatic activity. Standard protocols include radioligand binding assays using membrane preparations from brain tissue or cells expressing recombinant receptors. The compound can be tested for its ability to compete with radiolabeled ligands for receptor binding. For enzyme studies, the compound may be evaluated as a substrate or inhibitor for enzymes involved in tyrosine metabolism, such as tyrosine hydroxylase or tyrosine aminotransferase, using spectrophotometric or chromatographic detection methods.
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| Cell Assay |
Cell-based assays for this halogenated tyrosine derivative typically utilize neuronal cell lines or primary neurons to evaluate compound effects on neurotransmitter synthesis and receptor function. 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 LDH release assays. The compound's effects on neurotransmitter levels can be measured using HPLC or mass spectrometry. For peptide synthesis applications, the compound is used as a building block for synthesizing peptide inhibitors or bioactive compounds.
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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 tyrosine analogues on neurological function, animals may be administered the compound and monitored for behavioral changes, cognitive performance, or neurotransmitter levels. Pharmacodynamic assessments may include brain tissue collection for neurotransmitter measurement and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this halogenated tyrosine derivative can be inferred from structurally related compounds. As a small molecule (molecular weight 250.08 g/mol), it is expected to have reasonable oral bioavailability. The chlorine substituents may influence the compound's lipophilicity and metabolic stability compared to tyrosine. The compound shows moderate solubility in aqueous and organic solvents. For in vivo administration, formulations using suitable co-solvent systems may be employed. The compound is stable at room temperature during shipping and 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. Amino acid derivatives in general are considered to have low inherent toxicity based on their natural amino acid origins. However, halogenated compounds may have altered toxicity profiles due to the presence of chlorine atoms. 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 (NOAEL). 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 |
3,5-Dichloro-L-tyrosine is a chlorinated amino acid, specifically an L-tyrosine with chlorinated substituents at the C-3 and C-5 positions of the benzyl group. It is a dihalo-L-tyrosine, dichlorobenzene, a non-protein L-α-amino acid, and a chlorinated amino acid. 3,5-Dichloro-L-tyrosine has been reported to exist in the Chinese honeybee (Apis cerana), and relevant data are available.
(S)-2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid is a halogenated tyrosine analogue featuring chlorine substituents at the 3 and 5 positions of the phenolic ring. Tyrosine is a precursor for catecholamines (dopamine, norepinephrine, epinephrine) and thyroid hormones. This compound is supplied as a research-grade reagent for biochemical and pharmacological studies, serving as a building block in peptide synthesis and as a tool for studying halogenation effects on biological activity. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes. |
| Molecular Formula |
C9H9CL2NO3
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|---|---|
| Molecular Weight |
250.08
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| Exact Mass |
248.996
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| CAS # |
15106-62-4
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| PubChem CID |
439986
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| Appearance |
White to off-white solid powder
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| Density |
1.565g/cm3
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| Boiling Point |
392.5ºC at 760mmHg
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| Flash Point |
191.2ºC
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| Vapour Pressure |
7.27E-07mmHg at 25°C
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| Index of Refraction |
1.634
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| LogP |
2.353
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
15
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| Complexity |
227
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1C(=C(C([H])=C(C=1[H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])Cl)O[H]
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| InChi Key |
MPHURJQUHZHALJ-ZETCQYMHSA-N
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| InChi Code |
InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
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| Chemical Name |
(2S)-2-amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic 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: 50 mg/mL (199.94 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 1.25 mg/mL (5.00 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 12.5 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. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9987 mL | 19.9936 mL | 39.9872 mL | |
| 5 mM | 0.7997 mL | 3.9987 mL | 7.9974 mL | |
| 10 mM | 0.3999 mL | 1.9994 mL | 3.9987 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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