| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Methyl 2,4,6-trihydroxybenzoate targets oxidative stress pathways, acting as an antioxidant by scavenging free radicals through hydrogen atom transfer (HAT) and single electron transfer (SET). It inhibits lipid peroxidation. Its three hydroxyl groups contribute to strong free radical-scavenging activity, making it effective in reducing oxidative stress.
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|---|---|
| ln Vitro |
In vitro, Methyl 2,4,6-trihydroxybenzoate has antioxidant, lipid-lowering, and anticancer activities. It scavenges free radicals (DPPH・, ABTS・⁺, ・OH) through HAT and SET mechanisms and inhibits lipid peroxidation. It has been shown to inhibit the production of tumour necrosis factor. It can interact with biological targets involved in inflammation and microbial growth.
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| ln Vivo |
In vivo data for Methyl 2,4,6-trihydroxybenzoate are limited in the available literature. As a metabolite with antioxidant, lipid-lowering, and anticancer activities, it has potential for use in pharmaceuticals, cosmetics, and food preservation. Further in vivo studies are needed.
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| Enzyme Assay |
Methyl 2,4,6-trihydroxybenzoate's antioxidant activity can be characterized using standard free radical scavenging assays such as DPPH, ABTS, and hydroxyl radical assays. Lipid peroxidation inhibition is measured using the thiobarbituric acid reactive substances (TBARS) assay.
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| Cell Assay |
In vitro cell experiments with Methyl 2,4,6-trihydroxybenzoate involve treating cells with the compound and assessing its effects on oxidative stress, lipid metabolism, and cell viability. The compound's anticancer activity is evaluated using cancer cell lines.
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| Animal Protocol |
In vivo animal studies with Methyl 2,4,6-trihydroxybenzoate have not been extensively reported in the available literature. The compound is a natural product with antioxidant and anticancer activities. Further studies are needed to evaluate its in vivo efficacy.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Methyl 2,4,6-trihydroxybenzoate are not available in the searched literature. As a small molecule with a molecular weight of 184.15 g/mol, the compound may have reasonable oral bioavailability.
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| Toxicity/Toxicokinetics |
Methyl 2,4,6-trihydroxybenzoate is considered safe for research use at typical concentrations. As a natural product and metabolite, it is generally considered to have a favorable safety profile. As a research compound, it is intended for laboratory use only.
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| References | |
| Additional Infomation |
2,4,6-Trihydroxybenzoate is a hydroxybenzoic acid.
Methyl 2,4,6-trihydroxybenzoate has a molecular formula of C₈H₈O₅ and a molecular weight of 184.15 g/mol. It is a metabolite of 2,4,6-trihydroxybenzoate with antioxidant, lipid-lowering, and anticancer activities. It scavenges free radicals through HAT and SET and inhibits lipid peroxidation. |
| Molecular Formula |
C8H8O5
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|---|---|
| Molecular Weight |
184.14612
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| Exact Mass |
184.037
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| CAS # |
3147-39-5
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| PubChem CID |
76600
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| Appearance |
White to off-white solid powder
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| Density |
1.501g/cm3
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| Boiling Point |
359.5ºC at 760mmHg
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| Melting Point |
174-176°C
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| Flash Point |
150.3ºC
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| Index of Refraction |
1.63
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| LogP |
0.59
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
181
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
AQDIJIAUYXOCGX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
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| Chemical Name |
methyl 2,4,6-trihydroxybenzoate
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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 : ~100 mg/mL (~543.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.58 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 25.0 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: ≥ 2.5 mg/mL (13.58 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (13.58 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 | 5.4304 mL | 27.1518 mL | 54.3036 mL | |
| 5 mM | 1.0861 mL | 5.4304 mL | 10.8607 mL | |
| 10 mM | 0.5430 mL | 2.7152 mL | 5.4304 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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