| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
4-Trifluoromethylsalicylic acid targets cyclooxygenase (COX) enzymes, particularly COX-2, which plays a significant role in inflammation and pain pathways. The compound functions as a platelet aggregation inhibitor. Its mechanism involves the inhibition of platelet aggregation, reducing the risk of blood clot formation. As a salicylic acid derivative, it may also modulate inflammatory pathways. The trifluoromethyl group enhances membrane permeability and improves pharmacokinetic properties.
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|---|---|
| ln Vitro |
4-Trifluoromethylsalicylic acid inhibits platelet aggregation in vitro. The compound inhibits COX-2, which plays a role in inflammation and pain pathways. Its trifluoromethyl group confers enhanced membrane permeability, facilitating its use in structure-activity relationship studies. These in vitro findings support its applications in cardiovascular research, inflammation research, and pharmaceutical development.
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| ln Vivo |
In vivo studies of 4-Trifluoromethylsalicylic acid have focused on its role as the active metabolite of triflusal. The compound functions as a platelet aggregation inhibitor in vivo, preventing thrombus formation. Its unique trifluoromethyl group imparts distinct chemical properties that can be leveraged in pharmaceutical development. The compound is used as a precursor for the synthesis of non-steroidal anti-inflammatory drugs. It is intended for research use only.
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| Enzyme Assay |
In vitro enzyme inhibition assays for 4-Trifluoromethylsalicylic acid typically involve testing its activity against COX-2. Enzyme activity is measured using appropriate substrates and detection methods. Platelet aggregation inhibition is assessed using platelet-rich plasma and aggregometry. The compound's purity (typically ≥98%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy, high-performance liquid chromatography, and mass spectrometry.
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| Cell Assay |
In vitro cell-based assays for 4-Trifluoromethylsalicylic acid involve culturing platelets to evaluate its anti-aggregation effects. Platelets are treated with varying concentrations of the compound and aggregation is induced using agonists such as ADP or collagen; aggregation is measured using aggregometry. For anti-inflammatory studies, immune cells are treated and inflammatory markers measured. Cell viability is assessed using standard assays. All experiments are performed with appropriate controls.
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| Animal Protocol |
In vivo animal experiments for 4-Trifluoromethylsalicylic acid would be conducted to evaluate its anti-platelet and anti-inflammatory activities. Animals would be administered the compound and platelet aggregation assessed ex vivo. For anti-inflammatory studies, animals with induced inflammation would be treated and inflammatory markers measured. Parameters assessed would include platelet aggregation, inflammatory markers, and tissue histopathology. Control groups receiving vehicle alone would be included for comparison.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 4-Trifluoromethylsalicylic acid reflect its nature as a salicylic acid derivative. It has a molecular weight of 206.12 and the molecular formula C8H5F3O3. The trifluoromethyl group confers enhanced membrane permeability and improved pharmacokinetic properties. As the active metabolite of triflusal, it is formed in vivo following administration of the parent compound. Complete pharmacokinetic profiling including half-life, clearance, and bioavailability would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4-Trifluoromethylsalicylic acid has been evaluated in the context of its use as a research chemical. As a salicylic acid derivative, it may have effects similar to other salicylates. The compound has a purity of 99.9%. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References | |
| Additional Infomation |
2-Hydroxy-4-trifluoromethylbenzoic acid is a hydroxybenzoic acid whose function is related to that of salicylic acid.
4-Trifluoromethylsalicylic acid (CAS# 328-90-5) is also known as desacetyl triflusal. It has the molecular formula C8H5F3O3 and a molecular weight of 206.12. The compound is the active metabolite of triflusal and functions as a platelet aggregation inhibitor. It inhibits COX-2, which plays a role in inflammation and pain pathways. The trifluoromethyl group confers enhanced membrane permeability and improved pharmacokinetic properties. |
| Molecular Formula |
C8H5F3O3
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|---|---|
| Molecular Weight |
206.12
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| Exact Mass |
206.019
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| CAS # |
328-90-5
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| Related CAS # |
4-Trifluoromethylsalicylic acid-13C6;1246817-12-8
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| PubChem CID |
164578
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
286.4±40.0 °C at 760 mmHg
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| Melting Point |
178ºC
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| Flash Point |
127.0±27.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.510
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| LogP |
4.16
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
14
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| Complexity |
226
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
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| InChi Key |
XMLFPUBZFSJWCN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
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| Chemical Name |
2-hydroxy-4-(trifluoromethyl)benzoic 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 (485.15 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.13 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 (12.13 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8515 mL | 24.2577 mL | 48.5154 mL | |
| 5 mM | 0.9703 mL | 4.8515 mL | 9.7031 mL | |
| 10 mM | 0.4852 mL | 2.4258 mL | 4.8515 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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