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| Other Sizes |
| Targets |
4-Methylsalicylic acid targets multiple cellular pathways involved in inflammation and microbial growth. As a salicylate derivative, it inhibits cyclooxygenase (COX) enzymes, reducing the production of prostaglandins and other inflammatory mediators. The compound also exhibits antimicrobial activity against various bacterial and fungal pathogens. Its biological effects are related to its ability to modulate inflammatory and oxidative stress pathways.
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| ln Vitro |
In cell-free biochemical systems, 4-Methylsalicylic acid inhibits cyclooxygenase (COX) enzyme activity. The compound's inhibition of COX-1 and COX-2 can be assessed using enzyme assays that measure the conversion of arachidonic acid to prostaglandins. The IC50 is determined from dose-response curves. Its antimicrobial activity can be evaluated using standard disk diffusion or microdilution assays.
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| ln Vivo |
In cell-based assays, 4-Methylsalicylic acid exhibits anti-inflammatory effects by reducing the production of prostaglandins and other inflammatory mediators. The compound's effects are evaluated in immune cells by measuring prostaglandin E2 (PGE2) and cytokine production. Its antimicrobial effects are assessed in infected cell cultures.
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| Enzyme Assay |
The cell-free assay for COX inhibition involves measuring the enzymatic activity of purified COX-1 or COX-2 in the presence of the compound. The assay uses arachidonic acid as substrate, and the production of prostaglandins is measured using ELISA or other detection methods. The IC50 is determined from dose-response curves. Antimicrobial activity is assessed using standard disk diffusion or microdilution methods.
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| Cell Assay |
Cell-based assays for 4-Methylsalicylic acid involve culturing immune cells such as macrophages and treating them with the compound at concentrations ranging from 0.1 to 1000 μM. Cells are stimulated with LPS to induce inflammatory responses. Prostaglandin E2 (PGE2) and cytokine levels are measured by ELISA. The compound's effects on cell viability are assessed using MTT or CCK-8 assays.
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| Animal Protocol |
There is no established animal experimental protocol for 4-Methylsalicylic acid specifically. As a salicylate derivative with anti-inflammatory and antimicrobial activities, the compound could potentially be evaluated in animal models of inflammation and infection. Typical studies involve administration of the compound to mice via oral or intraperitoneal routes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Methylsalicylic acid have been characterized to some extent. As a small molecule with a molecular weight of 152.15 g/mol, the compound would be expected to have good oral bioavailability and tissue penetration. The compound is metabolized by conjugation reactions and excreted in the urine. Further pharmacokinetic studies would be required for therapeutic development.
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| Toxicity/Toxicokinetics |
4-Methylsalicylic acid is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent. As a salicylate derivative, the compound may have gastrointestinal and renal toxicity at high doses. Standard toxicity studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
4-Methylsalicylic acid is a monohydroxybenzoic acid composed of salicylic acid with a methyl group attached at the 4-position. Functionally, it is related to salicylic acid.
4-Methylsalicylic acid is a research-grade chemical supplied for anti-inflammatory and antimicrobial research. It is not an approved pharmaceutical and has no clinical trial history. The compound is a salicylic acid derivative with anti-inflammatory properties. This product is intended for research use only. |
| Molecular Formula |
C8H8O3
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|---|---|
| Molecular Weight |
152.15
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| Exact Mass |
152.047
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| CAS # |
50-85-1
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| PubChem CID |
5788
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
315.2±30.0 °C at 760 mmHg
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| Melting Point |
173-177 °C(lit.)
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| Flash Point |
158.6±21.1 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.600
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| LogP |
2.52
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
NJESAXZANHETJV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
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| Chemical Name |
2-hydroxy-4-methylbenzoic acid
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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) |
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 | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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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