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| Other Sizes |
| Targets |
2,4,5-Trimethoxybenzoic acid does not have a single defined molecular target but is used as a chemical intermediate. It is the acid form of a compound that can be used in the synthesis of various bioactive molecules. It has been suggested to have potential for alleviating, treating, and preventing inflammatory diseases. The compound's mechanism of action, if any, would be related to its metabolites or derivatives rather than the parent compound itself. Further research is needed to identify its specific biological targets.
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| ln Vitro |
Specific in vitro activity data for 2,4,5-Trimethoxybenzoic acid are limited. As a chemical intermediate, its primary use is in organic synthesis. The compound's potential anti-inflammatory activity has been mentioned, but detailed potency data (e.g., IC50 values) are not available in publicly accessible sources. The compound may be tested in cell-based assays for its effects on inflammatory markers, but specific data are limited.
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| ln Vivo |
Specific in vivo efficacy data for 2,4,5-Trimethoxybenzoic acid are not well-documented in publicly available sources. The compound is primarily used as an intermediate in chemical synthesis rather than as a therapeutic agent. Further studies are needed to determine its pharmacokinetic properties and potential therapeutic effects in animal models.
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| Enzyme Assay |
The in vitro assays for 2,4,5-Trimethoxybenzoic acid typically involve chemical characterization and quality control. The compound is analyzed by HPLC, NMR, and mass spectrometry to determine purity and identity. For biological studies, general assays for anti-inflammatory activity (e.g., inhibition of cytokine production in macrophages) or antioxidant activity (e.g., DPPH radical scavenging) may be used. However, specific assay protocols for this compound are not documented in publicly available sources.
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| Cell Assay |
For in vitro cellular assays, 2,4,5-Trimethoxybenzoic acid would be tested in appropriate cell lines (e.g., macrophages, epithelial cells) at varying concentrations (typically 1 to 100 µM) for 24-72 hours. Cell viability would be assessed using MTT or CellTiter-Glo assays. Inflammatory markers (TNF-α, IL-6, IL-1β) could be measured by ELISA. However, specific protocols are not documented, and researchers would need to develop appropriate assays.
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| Animal Protocol |
In vivo studies for 2,4,5-Trimethoxybenzoic acid have not been documented in publicly available sources. If in vivo studies were to be performed, the compound would likely be administered to rodents via oral gavage or intraperitoneal injection. However, specific protocols are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2,4,5-Trimethoxybenzoic acid are not available in publicly accessible literature. The compound's absorption, distribution, metabolism, and excretion have not been characterized.
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| Toxicity/Toxicokinetics |
Toxicology data for 2,4,5-Trimethoxybenzoic acid are not available in publicly accessible literature. The compound's safety profile has not been characterized.
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| References | |
| Additional Infomation |
2,4,5-Trimethoxybenzoic acid is a methoxybenzoic acid. It has been reported that 2,4,5-trimethoxybenzoic acid has been found in Alpinia flabellata, and relevant data are available for reference.
2,4,5-Trimethoxybenzoic acid (Asaronic acid) is a methoxybenzoic acid with a molecular formula of C10H12O5 and a molecular weight of 212.20. It is used as an intermediate in the synthesis of pharmaceuticals, dyes, and fine chemicals. The compound is not approved for human use and has not entered clinical trials. It is available as a high-purity research reagent for laboratory use. Its role as a chemical intermediate makes it valuable for organic synthesis and pharmaceutical research. |
| Molecular Formula |
C10H12O5
|
|---|---|
| Molecular Weight |
212.1993
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| Exact Mass |
212.068
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| CAS # |
490-64-2
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| PubChem CID |
10276
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
300.0±0.0 °C at 760 mmHg
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| Melting Point |
143-145 °C(lit.)
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| Flash Point |
134.0±20.0 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.524
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| LogP |
1.52
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
|
| Heavy Atom Count |
15
|
| Complexity |
218
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KVZUCOGWKYOPID-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
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| Chemical Name |
2,4,5-trimethoxybenzoic 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) |
DMSO : ~100 mg/mL (~471.25 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.78 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 (11.78 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 (11.78 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 | 4.7125 mL | 23.5627 mL | 47.1254 mL | |
| 5 mM | 0.9425 mL | 4.7125 mL | 9.4251 mL | |
| 10 mM | 0.4713 mL | 2.3563 mL | 4.7125 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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