| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
Methyl 2,6-dihydroxybenzoate does not have a well-defined pharmacological target. As a phenolic compound structurally related to salicylic acid, it may exhibit anti-inflammatory, antioxidant, or antimicrobial activities. It may interact with cyclooxygenase (COX) enzymes or other targets involved in inflammatory pathways, but specific binding affinities or mechanisms have not been extensively characterized. Its primary utility is as a research chemical and synthetic intermediate.
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|---|---|
| ln Vitro |
In vitro, methyl 2,6-dihydroxybenzoate may exhibit antioxidant activity due to its phenolic hydroxyl groups, which can scavenge free radicals. It may also show anti-inflammatory activity by inhibiting COX enzymes or other inflammatory mediators. However, quantitative in vitro data (e.g., IC50 values) for this specific compound are not readily available from publicly accessible sources. The compound is primarily used as a research chemical and synthetic intermediate.
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| ln Vivo |
Methyl 2,6-dihydroxybenzoate has no reported in vivo pharmacological activity. As a natural product, it may have been used in traditional medicine contexts, but modern pharmacological studies are limited. The compound is not used as a therapeutic agent and has no approved clinical indications. Its primary value is in biochemical research and as a starting material for drug synthesis.
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| Enzyme Assay |
In vitro enzyme assays for methyl 2,6-dihydroxybenzoate would typically involve measuring its antioxidant activity using DPPH or ABTS radical scavenging assays. Anti-inflammatory activity could be assessed using COX-1 or COX-2 inhibition assays, where the compound is incubated with the enzyme and a substrate (e.g., arachidonic acid), and the production of prostaglandins is measured. Binding to other targets such as lipoxygenases or NF-κB could also be assessed using standard biochemical assays.
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| Cell Assay |
In vitro cell-based assays for methyl 2,6-dihydroxybenzoate would involve culturing appropriate cell lines (e.g., macrophages, cancer cells) and treating them with the compound to assess effects on cell viability, inflammation, or oxidative stress. Cytotoxicity would be evaluated using MTT or LDH release assays. Anti-inflammatory activity could be assessed by measuring cytokine production (e.g., TNF-α, IL-6) in lipopolysaccharide-stimulated macrophages. Antioxidant activity could be assessed by measuring reactive oxygen species (ROS) levels using fluorescent probes.
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| Animal Protocol |
In vivo animal studies for methyl 2,6-dihydroxybenzoate have not been reported in the literature. If conducted, such studies might involve oral or intraperitoneal administration in rodents to assess anti-inflammatory, analgesic, or antioxidant activities. Standard models for evaluating these activities include carrageenan-induced paw edema for anti-inflammatory effects, acetic acid-induced writhing for analgesic effects, and oxidative stress models for antioxidant effects. No specific data are available.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of methyl 2,6-dihydroxybenzoate have not been characterized. As a small molecule with a molecular weight of 168.15 and multiple hydroxyl groups, it is expected to have moderate aqueous solubility. The compound may be absorbed orally and undergo first-pass metabolism, including hydrolysis of the ester group to yield 2,6-dihydroxybenzoic acid. Metabolism would likely occur via glucuronidation and sulfation of the phenolic hydroxyl groups. No specific PK data are available.
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| Toxicity/Toxicokinetics |
The toxicity profile of methyl 2,6-dihydroxybenzoate has not been systematically evaluated. As a phenolic compound, it may cause skin or eye irritation upon contact. At high doses, phenolic compounds can be toxic and may cause liver or kidney damage. However, the compound's structural similarity to salicylic acid suggests that it may have a relatively favorable safety profile at low doses. Standard toxicology assessments would include acute, sub-chronic, and chronic toxicity studies in rodents. No specific toxicity data are available.
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| References | |
| Additional Infomation |
Methyl 2,6-dihydroxybenzoate is a phenolic compound and a benzoic acid ester. Functionally, it is related to salicylic acid. Methyl 2,6-dihydroxybenzoate has been reported to have been found in the Guiana carapax (Carapa guianensis), and relevant data are available for reference.
Methyl 2,6-dihydroxybenzoate is a natural phenolic compound and benzoic acid ester found in Carapa guianensis. It has the molecular formula C8H8O4 and a molecular weight of 168.15. The compound is related to salicylic acid and may have antioxidant or anti-inflammatory properties. It is used as a research chemical and synthetic intermediate. Methyl 2,6-dihydroxybenzoate is not approved for clinical use and is available only for research purposes. |
| Molecular Formula |
C8H8O4
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|---|---|
| Molecular Weight |
168.15
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| Exact Mass |
168.042
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| CAS # |
2150-45-0
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| PubChem CID |
519869
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| Appearance |
White to off-white solid
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
253.6±20.0 °C at 760 mmHg
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| Melting Point |
67-70 °C(lit.)
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| Flash Point |
101.1±15.3 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.588
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| LogP |
2.29
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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 |
2
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| Heavy Atom Count |
12
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| Complexity |
158
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C(C1C(=C([H])C([H])=C([H])C=1O[H])O[H])=O
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| InChi Key |
WCQZCKUNZVMBDC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
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| Chemical Name |
methyl 2,6-dihydroxybenzoate
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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 (594.71 mM）
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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 | 5.9471 mL | 29.7354 mL | 59.4707 mL | |
| 5 mM | 1.1894 mL | 5.9471 mL | 11.8941 mL | |
| 10 mM | 0.5947 mL | 2.9735 mL | 5.9471 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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