| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
As an ester of acetylsalicylic acid, Guacetisal is expected to act as a COX inhibitor, similar to aspirin. It likely inhibits cyclooxygenase (COX) enzymes, thereby reducing the production of prostaglandins and thromboxanes, which are mediators of pain, fever, and inflammation.
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|---|---|
| ln Vitro |
Specific in vitro activity data for Guacetisal are limited. As an NSAID, it would be expected to inhibit COX-1 and COX-2 enzyme activity. The esterification with guaiacol may alter its potency and selectivity compared to aspirin. However, specific IC50 values are not provided in the available literature.
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| ln Vivo |
Specific in vivo activity data for Guacetisal are not detailed. As an NSAID, it would be expected to have analgesic, anti-inflammatory, and antipyretic effects in animal models. It has potential for use in research on chronic bronchitis, suggesting it may have effects on respiratory inflammation.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for Guacetisal would typically involve measuring the activity of COX-1 and COX-2 enzymes in the presence of varying concentrations of the compound. The enzyme is incubated with arachidonic acid substrate, and the production of prostaglandins is quantified. The IC50 value is determined from the dose-response curve. This is a standard assay for evaluating NSAID activity.
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| Cell Assay |
Specific in vitro cell-based assay protocols for Guacetisal are not detailed. Cellular activity could be assessed by measuring the inhibition of prostaglandin production in cultured cells, such as macrophages or fibroblasts, stimulated with inflammatory stimuli (e.g., LPS). Cells are treated with Guacetisal, and prostaglandin levels in the culture medium are measured by ELISA.
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| Animal Protocol |
Specific in vivo animal model protocols for Guacetisal are not described. To evaluate its anti-inflammatory activity, Guacetisal could be tested in standard animal models of inflammation, such as carrageenan-induced paw edema in rats or acetic acid-induced writhing in mice. The compound would be administered orally or intraperitoneally, and the reduction in inflammation or pain response would be measured.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Guacetisal are not reported in the available literature. As an ester prodrug of aspirin and guaiacol, it would likely be hydrolyzed in the body to release salicylic acid and guaiacol. The pharmacokinetics of these metabolites would determine its overall pharmacological profile.
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| Toxicity/Toxicokinetics |
Specific toxicological data for Guacetisal are not available. As an NSAID, it may share similar safety concerns with aspirin, including gastrointestinal irritation and bleeding, as well as potential renal and cardiovascular effects. Comprehensive toxicological studies would be required.
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| Additional Infomation |
Guacetisal is a carbonyl compound.
Guacetisal is an NSAID that has been studied for its potential in treating chronic bronchitis. It is a derivative of aspirin and guaiacol, combining the anti-inflammatory properties of aspirin with the expectorant properties of guaiacol. It is not widely used in modern medicine and is primarily a research compound. |
| Molecular Formula |
C16H14O5
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|---|---|
| Molecular Weight |
286.27936
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| Exact Mass |
286.084
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| CAS # |
55482-89-8
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| Related CAS # |
55482-89-8 Aspirin guaiacol ester Broncaspin Guacetisal
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| PubChem CID |
68749
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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 |
463.8±30.0 °C at 760 mmHg
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| Flash Point |
207.2±24.6 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.561
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| LogP |
2.81
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
21
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| Complexity |
368
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(OC1=CC=CC=C1OC)C2=CC=CC=C2OC(C)=O
|
| InChi Key |
HSJFYRYGGKLQBT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
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| Chemical Name |
(2-methoxyphenyl) 2-acetyloxybenzoate
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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 (~349.31 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.73 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 (8.73 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 (8.73 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 | 3.4931 mL | 17.4654 mL | 34.9308 mL | |
| 5 mM | 0.6986 mL | 3.4931 mL | 6.9862 mL | |
| 10 mM | 0.3493 mL | 1.7465 mL | 3.4931 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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