| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| Other Sizes |
| Targets |
The primary target of Methyl 2-(2,4-dihydroxyphenyl)acetate is not a specific receptor or enzyme but rather its activity is associated with its ability to scavenge free radicals and exert selective phytotoxic effects. Its mechanism of action in plant systems is thought to involve interference with growth and development pathways, although the precise molecular target remains unidentified. As a phenolic compound, it likely interacts with cellular components through its antioxidant properties, neutralizing reactive oxygen species and modulating redox-sensitive signaling pathways.
|
|---|---|
| ln Vitro |
In vitro, Methyl 2-(2,4-dihydroxyphenyl)acetate demonstrates significant antioxidant activity. In cell-free DPPH radical scavenging assays, it exhibits an IC50 of 2.55×10⁻³ mg/mL, enabling direct comparisons of potency between the ester and its free acid analogs. The compound shows excellent solubility, with >100 mg/mL solubility in DMSO, which simplifies high-throughput screening workflows. Its documented selective phytotoxic effects provide a validated phenotypic lead for agrochemical discovery, suggesting it can inhibit the growth of certain plant species while being less toxic to others.
|
| ln Vivo |
In vivo activity data for Methyl 2-(2,4-dihydroxyphenyl)acetate is limited and primarily derived from its phytotoxic effects observed in plant models. Studies on Nigella damascena and Ilex aquifolium have shown that this compound and related phenolic derivatives exhibit selective toxicity towards certain plant species. The compound's antioxidant properties, while well-characterized in vitro, have not been extensively studied in animal models. For similar phenolic compounds, in vivo effects often include modulation of oxidative stress markers and potential anti-inflammatory activities, but these remain to be confirmed for this specific ester.
|
| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Methyl 2-(2,4-dihydroxyphenyl)acetate typically focus on its antioxidant capacity. A standard DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging assay is performed: various concentrations of the compound are prepared in methanol or ethanol and mixed with a DPPH solution. The mixture is incubated in the dark at room temperature for 30 minutes. The decrease in absorbance at 517 nm is measured spectrophotometrically. The IC50 value is calculated from the dose-response curve. This assay measures the compound's ability to donate hydrogen atoms or electrons to neutralize the stable DPPH radical, reflecting its antioxidant potential.
|
| Cell Assay |
In vitro cell-based assays for Methyl 2-(2,4-dihydroxyphenyl)acetate are not extensively documented. For similar phenolic compounds, a standard protocol for assessing antioxidant activity in cells involves culturing human cell lines such as HepG2 or fibroblasts in appropriate media. Cells are treated with various concentrations of the compound for a specified period (e.g., 24 hours) and then exposed to an oxidative stress inducer like hydrogen peroxide. Cell viability is assessed using the MTT assay. Additionally, intracellular reactive oxygen species (ROS) levels can be measured using fluorescent probes such as DCFH-DA. These assays evaluate the compound's cytoprotective effects against oxidative damage.
|
| Animal Protocol |
In vivo animal experiments for Methyl 2-(2,4-dihydroxyphenyl)acetate are not well-documented in the literature. For analogous phenolic compounds with antioxidant properties, a typical in vivo study would involve administering the compound orally or intraperitoneally to rodents (e.g., mice or rats) at various doses for a period of days to weeks. Endpoints would include assessment of oxidative stress markers in blood and tissues (e.g., malondialdehyde, glutathione levels), evaluation of organ function via serum biochemistry, and histopathological examination of tissues. Such studies aim to determine the compound's bioavailability, efficacy, and safety in a living organism.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for Methyl 2-(2,4-dihydroxyphenyl)acetate is not well-characterized. Based on its physicochemical properties, it has a moderate lipophilicity with a calculated logP of 0.51-0.813, suggesting it has moderate membrane permeability. The compound is highly soluble in DMSO (>100 mg/mL), which aids in formulation for in vitro studies. As a small molecule (MW 182.17 g/mol), it is likely to be absorbed after oral administration. Metabolism may involve ester hydrolysis to the corresponding free acid or Phase II conjugation (glucuronidation/sulfation) of the phenolic hydroxyl groups, which is common for phenolic compounds.
|
| Toxicity/Toxicokinetics |
Toxicity data for Methyl 2-(2,4-dihydroxyphenyl)acetate is not extensively reported. The compound is known to have selective phytotoxic effects, meaning it is toxic to certain plant species while having minimal effects on others. Its safety profile in animals has not been thoroughly evaluated. Based on its structure as a phenolic acid ester, it is expected to have low acute toxicity. However, the compound should be handled with standard laboratory precautions. Inhalation, ingestion, or skin contact should be avoided, and appropriate personal protective equipment should be used.
|
| References | |
| Additional Infomation |
Methyl 2-(2,4-dihydroxyphenyl)acetate is a research compound primarily used as a standard for antioxidant and phytotoxicity assays. It serves as a valuable tool in natural product chemistry for studying structure-activity relationships of phenolic compounds. Its high solubility in DMSO makes it suitable for high-throughput screening applications. The compound's selective phytotoxicity makes it a potential lead for agrochemical discovery. It is not an FDA-approved drug and has no clinical trial or marketing approval status. The compound is commercially available from chemical suppliers for research purposes only.
|
| Molecular Formula |
C9H10O4
|
|---|---|
| Molecular Weight |
182.1733
|
| Exact Mass |
182.058
|
| CAS # |
67828-42-6
|
| PubChem CID |
105727
|
| Appearance |
Off-white to gray solid powder
|
| LogP |
0.813
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
13
|
| Complexity |
181
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
FSSXHUOFRDFPMF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O4/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5,10-11H,4H2,1H3
|
| Chemical Name |
methyl 2-(2,4-dihydroxyphenyl)acetate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~548.94 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.72 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. (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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
