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| Other Sizes |
| Targets |
Methyl 3,5-dihydroxybenzoate does not have a defined pharmacological target as it is a chemical intermediate and reagent. The dihydroxybenzoate scaffold is found in various natural products and synthetic compounds with diverse biological activities, including antioxidant, antimicrobial, and anti-inflammatory properties. The compound may serve as a precursor for synthesizing more complex bioactive molecules. Its derivatives can interact with various enzymes and receptors depending on the specific modifications made.
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| ln Vitro |
Utilizing methyl 3,5-dihydroxybenzoate, cored dendrimers were created.
No specific in vitro pharmacological activity data are available for methyl 3,5-dihydroxybenzoate as a drug candidate. In research applications, the compound is used as a biochemical reagent and building block for organic synthesis. The dihydroxybenzoate moiety can act as a metal chelator and antioxidant. The compound may be evaluated in antioxidant assays such as DPPH radical scavenging or metal chelation assays to assess its potential as a lead compound or standard. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for methyl 3,5-dihydroxybenzoate. The compound is used primarily as a research reagent and synthetic intermediate rather than as a therapeutic agent. If used in animal studies, it would be formulated using appropriate vehicles. Dosing and administration protocols would need to be established based on the specific research objectives. The compound is not developed as a pharmaceutical drug.
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| Enzyme Assay |
For non-cellular assays, methyl 3,5-dihydroxybenzoate is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated in antioxidant assays such as DPPH, ABTS, or FRAP assays. Typical protocols involve dissolving the compound in appropriate solvents (ethanol, methanol, or DMSO) and measuring radical scavenging activity spectrophotometrically. The compound may also be used as a standard in phenolic compound analysis. Purity is typically ≥98%.
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| Cell Assay |
For in vitro cell-based studies, methyl 3,5-dihydroxybenzoate can be dissolved in DMSO or ethanol and diluted in cell culture medium to working concentrations. Cells are cultured under standard conditions and treated with the compound for various time points. Cellular responses can be assessed using assays for viability, oxidative stress, or specific signaling pathways. The compound may be used as a positive control in antioxidant studies or as a precursor for synthesizing more complex molecules for cell-based screening.
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| Animal Protocol |
For in vivo animal studies, methyl 3,5-dihydroxybenzoate can be administered via various routes using appropriate formulations. The compound powder should be stored at room temperature in a cool, dry place protected from light. Dosing solutions should be freshly prepared and administered according to the specific protocol with appropriate control groups. Standard handling procedures for phenolic compounds should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of methyl 3,5-dihydroxybenzoate are not well characterized as it is a research reagent. The compound has a molecular weight of 168.15 and molecular formula C8H8O4. It is a white to off-white crystalline solid with a melting point typically around 178-181°C. The compound is soluble in organic solvents such as ethanol, methanol, and DMSO, and has limited solubility in water. Storage: keep in a cool, dry place protected from light and moisture. Purity: typically ≥98%.
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| Toxicity/Toxicokinetics |
Toxicological data for methyl 3,5-dihydroxybenzoate are limited. The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported. The compound is generally considered to have low toxicity as a phenolic ester.
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| Additional Infomation |
Reports indicate that viburnum plants contain methyl 3,5-dihydroxybenzoate, and relevant data are available for reference.
Methyl 3,5-dihydroxybenzoate (CAS 2150-44-9) is also known as methyl resorcylate, 3,5-dihydroxybenzoic acid methyl ester, or resorcylic acid methyl ester. It is used as a biochemical reagent and building block in organic synthesis and medicinal chemistry. The dihydroxybenzoate scaffold is found in various natural products and synthetic bioactive compounds. The compound may serve as a precursor for synthesizing more complex molecules with potential therapeutic applications. No clinical trials or therapeutic approvals exist; the product is exclusively 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 # |
2150-44-9
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| PubChem CID |
75076
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| Appearance |
Solid Powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
349.4±12.0 °C at 760 mmHg
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| Melting Point |
167-170 °C(lit.)
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| Flash Point |
147.6±13.1 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.588
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| LogP |
1.6
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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([H])=C(C([H])=C(C=1[H])O[H])O[H])=O
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| InChi Key |
RNVFYQUEEMZKLR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3
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| Chemical Name |
methyl 3,5-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 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 | 5.9471 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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