| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| Other Sizes |
| Targets |
EV71[1]
The primary targets of methyl 3,4-dihydroxyphenylacetate are related to catechol biochemistry. As a derivative of DOPAC, it may interact with enzymes involved in dopamine metabolism, such as monoamine oxidase (MAO) and catechol-O-methyltransferase (COMT). The compound may also act as an antioxidant due to the catechol moiety. Its methyl ester group may affect its interaction with biological targets compared to the parent acid. Further research is needed to identify specific molecular targets. |
|---|---|
| ln Vitro |
In vitro studies of methyl 3,4-dihydroxyphenylacetate are limited. As a catechol derivative, it may exhibit antioxidant properties through its ability to scavenge free radicals and chelate metal ions. The compound may be used as a reference standard in analytical studies of catechol metabolites. Its activity in cell-based systems may include protection against oxidative stress. Specific potency data for biological activities are not extensively reported in the available literature.
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| ln Vivo |
In vivo activity data for methyl 3,4-dihydroxyphenylacetate are not extensively documented. The compound may be studied as a metabolite or derivative of DOPAC in the context of dopamine metabolism research. Animal model studies evaluating its pharmacological effects have not been reported. Further investigations are needed to assess its biological activity in vivo. The compound is primarily used as a research chemical rather than a therapeutic agent.
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| Enzyme Assay |
For enzyme inhibition studies, standard assays for MAO or COMT activity can be used. The compound is incubated with the enzyme and substrate, and product formation is monitored spectrophotometrically or fluorometrically. For antioxidant assays, DPPH radical scavenging, ABTS, or FRAP assays are employed. The compound is mixed with the radical-generating system, and the reduction in absorbance is measured. IC₅₀ values for radical scavenging are calculated from dose-response curves.
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| Cell Assay |
For in vitro cell-based studies, various cell lines such as neuronal cells or hepatocytes may be used to evaluate the compound's effects on oxidative stress or catechol metabolism. Cells are cultured in appropriate media and treated with serial dilutions of methyl 3,4-dihydroxyphenylacetate. Cell viability is assessed using MTT or other assays. Markers of oxidative stress such as reactive oxygen species (ROS) levels, glutathione content, and lipid peroxidation may be measured.
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| Animal Protocol |
In vivo animal studies for methyl 3,4-dihydroxyphenylacetate are limited. For similar catechol compounds, rodent models may be used to study metabolism and pharmacokinetics. The compound may be administered via oral, intraperitoneal, or intravenous routes. Blood and tissue samples are collected for analysis of the compound and its metabolites. Standard protocols for pharmacokinetic and metabolism studies can be adapted.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of methyl 3,4-dihydroxyphenylacetate have not been comprehensively characterized. As a small lipophilic ester with a molecular weight of 182.17 g/mol, it is expected to have good oral absorption and membrane permeability. The methyl ester may be hydrolyzed by esterases to the parent acid DOPAC. Specific PK parameters such as half-life, clearance, and volume of distribution have not been reported. Further studies are needed.
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| Toxicity/Toxicokinetics |
Toxicological data for methyl 3,4-dihydroxyphenylacetate are limited. As a catechol derivative, it may have low toxicity, though catechols can be metabolized to reactive quinones that may cause oxidative stress. Standard safety assessments have not been published. The compound should be handled with appropriate laboratory precautions. Systematic toxicological evaluation is needed for comprehensive safety assessment.
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| References | |
| Additional Infomation |
Methyl 3,4-dihydroxyphenylacetate is a research chemical primarily used in studies related to dopamine metabolism and catechol biochemistry. It is a methyl ester derivative of DOPAC, a major dopamine metabolite. The compound may be used as a reference standard for analytical method development or as a research tool for studying catechol oxidation and metabolism. No clinical trials or therapeutic applications have been reported.
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| Molecular Formula |
C9H10O4
|
|---|---|
| Molecular Weight |
182.1733
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| Exact Mass |
182.057
|
| CAS # |
25379-88-8
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| PubChem CID |
11008556
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| Appearance |
Light yellow to brown <36°C powder,>36°C liquid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
335.0±27.0 °C at 760 mmHg
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| Melting Point |
36ºC
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| Flash Point |
136.2±17.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.575
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| LogP |
0.63
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
|
| Complexity |
181
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C(C([H])([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O
|
| InChi Key |
UGFILLIGHGZLHE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
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| Chemical Name |
methyl 2-(3,4-dihydroxyphenyl)acetate
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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 (e.g. under nitrogen), 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 | 5.4894 mL | 27.4469 mL | 54.8938 mL | |
| 5 mM | 1.0979 mL | 5.4894 mL | 10.9788 mL | |
| 10 mM | 0.5489 mL | 2.7447 mL | 5.4894 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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