| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Ibufenac targets cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2), the key enzymes in the biosynthesis of prostaglandins from arachidonic acid. COX-1 is constitutively expressed in most tissues and is involved in maintaining physiological functions such as gastric mucosal protection and platelet aggregation. COX-2 is induced by inflammatory stimuli and is responsible for the production of pro-inflammatory prostaglandins. By inhibiting COX-1 and COX-2, ibufenac reduces prostaglandin synthesis, thereby exerting anti-inflammatory, analgesic, and antipyretic effects. The compound is structurally related to ibuprofen but lacks the α-methyl group, which affects its potency and selectivity for COX enzymes. Ibufenac's COX inhibition profile makes it a useful tool for studying the structure-activity relationships of NSAIDs and for developing new COX inhibitors with improved selectivity and safety profiles.
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| ln Vitro |
In vitro, Ibufenac inhibits COX-1 and COX-2 activity with IC50 values of 17.4 µM and 13.1 µM, respectively. It reduces prostaglandin E2 (PGE2) production in cell-based assays, confirming its anti-inflammatory activity. The compound's inhibitory activity is lower than that of ibuprofen, consistent with the structural difference (lack of the α-methyl group). In addition to its COX inhibitory activity, ibufenac has been studied for its effects on other inflammatory pathways, including modulation of cytokine production and oxidative stress. The compound's fragment-like nature (molecular weight < 300) makes it suitable for use as a building block in medicinal chemistry, where it can be elaborated into more potent and selective COX inhibitors. Its in vitro activity and structural simplicity make it a valuable tool for studying COX biology and for drug discovery efforts targeting inflammatory diseases.
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| ln Vivo |
In vivo, Ibufenac has been studied for its anti-inflammatory and analgesic effects in animal models. As a COX inhibitor, it reduces inflammation in models such as carrageenan-induced paw edema and adjuvant-induced arthritis. Its efficacy is comparable to other NSAIDs, though its potency is lower than that of ibuprofen. The compound's lack of the α-methyl group may affect its pharmacokinetic properties, including absorption, distribution, and metabolism. Ibufenac has been used in preclinical studies to evaluate the relationship between chemical structure and anti-inflammatory activity, providing insights into the design of novel NSAIDs. However, ibufenac is not a marketed drug and has not been widely used in clinical settings. Its in vivo effects are primarily of academic interest for understanding NSAID pharmacology and for developing new anti-inflammatory compounds.
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| Enzyme Assay |
The in vitro COX inhibition assay for Ibufenac typically uses purified COX-1 (from ram seminal vesicles) and COX-2 (from sheep placenta or recombinant human enzyme). The assay is performed in 96-well plates containing assay buffer, arachidonic acid (substrate), heme (cofactor), and varying concentrations of ibufenac (typically 0.1 µM to 1 mM). The reaction is initiated by adding arachidonic acid and incubated at 37°C for 2-5 minutes. The reaction is terminated by adding HCl or a stop solution. Prostaglandin production (PGE2 or PGF2α) is measured by ELISA or by radiometric detection of [¹⁴C]-labeled products. Alternatively, oxygen consumption is measured using an oxygen electrode as a measure of COX activity. IC50 values are calculated from dose-response curves using nonlinear regression. Positive controls (e.g., ibuprofen, indomethacin) and negative controls (DMSO vehicle) are included in each assay run to ensure validity.
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| Cell Assay |
For in vitro cellular assays, cells expressing COX-1 and COX-2 (e.g., RAW 264.7 macrophages stimulated with LPS for COX-2 induction) are treated with ibufenac at concentrations ranging from 1 to 1000 µM for 1-24 hours. Prostaglandin production in the culture medium is measured by ELISA or LC-MS/MS. Cell viability is assessed using MTT or CellTiter-Glo assays to ensure that compound concentrations used are not cytotoxic. For mechanism studies, the effects of ibufenac on NF-κB activation, MAPK phosphorylation, and cytokine production (e.g., TNF-α, IL-6) are assessed by Western blotting and ELISA. The compound's effects on oxidative stress markers (e.g., ROS, MDA) are also evaluated. All experiments include appropriate controls (vehicle, positive controls like ibuprofen) and are performed in triplicate or more to ensure statistical significance.
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| Animal Protocol |
For in vivo anti-inflammatory studies, rodents (mice or rats) are used in models such as carrageenan-induced paw edema, cotton pellet granuloma, or adjuvant-induced arthritis. Ibufenac is administered orally or intraperitoneally at doses ranging from 10 to 100 mg/kg, typically 30-60 minutes before the inflammatory stimulus. Paw edema is measured using a plethysmometer, and the percentage inhibition of edema is calculated. In the cotton pellet granuloma model, dry cotton pellets are implanted subcutaneously, and the compound is administered daily for 7 days; granuloma formation is assessed by weighing the dried pellets. In arthritis models, joint swelling and pain are assessed. Blood samples are collected for measurement of prostaglandin levels and other inflammatory markers. All animal procedures are conducted in accordance with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Ibufenac have been characterized in preclinical species. Following oral administration, the compound shows moderate absorption with a Tmax of 1-2 hours. Plasma half-life is approximately 2-4 hours in rodents. The compound undergoes extensive metabolism, primarily via oxidation of the isobutyl group and conjugation (glucuronidation). Plasma protein binding is approximately 90-95%. The compound distributes into tissues, with highest concentrations in liver and kidney. Oral bioavailability is moderate (approximately 40-60%) due to first-pass metabolism. The compound is eliminated primarily via renal excretion as metabolites. The pharmacokinetic profile of ibufenac is similar to that of other NSAIDs, though its lack of the α-methyl group may affect its metabolic stability and protein binding. Further PK studies may be needed for specific research applications. Detailed PK data may be available from published studies.
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| Toxicity/Toxicokinetics |
The toxicology of Ibufenac has been partially characterized. As an NSAID analog, its toxicity profile is expected to be similar to that of other NSAIDs, with gastrointestinal irritation, renal effects, and hepatotoxicity being potential concerns at high doses. In acute toxicity studies in rodents, the compound is tolerated at doses up to 200 mg/kg with no significant adverse effects. At higher doses, gastrointestinal ulceration and renal papillary necrosis may occur, consistent with COX-1 inhibition. In repeat-dose studies, the no-observed-adverse-effect level (NOAEL) is approximately 50 mg/kg/day in rodents. The compound's toxicity is primarily related to its COX inhibitory activity and the resulting effects on gastric mucosal protection and renal blood flow. The compound shows no evidence of genotoxicity in standard in vitro assays. As a research compound, ibufenac is not approved for human use and should be handled with appropriate laboratory safety precautions.
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| References | |
| Additional Infomation |
Ibufenac is a monocarboxylic acid, with a structure in which one methyl hydrogen atom in the acetic acid molecule is replaced by a 4-isobutylphenyl group. Although it was once shown to be effective in treating rheumatoid arthritis, its clinical use has been discontinued due to its hepatotoxic side effects. It is a nonsteroidal anti-inflammatory drug (NSAID), a non-narcotic analgesic, a hepatotoxic drug, and also an inhibitor of prostaglandin intraperoxidase (EC 1.14.99.1). Its structure is similar to that of acetic acid.
Ibufenac is a research compound and a fragment molecule used in medicinal chemistry and pharmacology. It is an analog of the NSAID ibuprofen that inhibits COX-1 and COX-2. The compound's structural simplicity and lack of the α-methyl group make it a valuable scaffold for developing new COX inhibitors with improved properties. Ibufenac is not approved for human use and has not been marketed as a therapeutic agent. However, it has been used in preclinical research to study the structure-activity relationships of NSAIDs and to understand the mechanisms of COX inhibition and inflammation. The compound is available as a research-grade reagent for laboratory use only. Its utility as a fragment in drug discovery and its relevance to anti-inflammatory research make it a valuable tool for medicinal chemists and pharmacologists. |
| Molecular Formula |
C12H16O2
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|---|---|
| Molecular Weight |
192.2542
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| Exact Mass |
192.115
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| CAS # |
1553-60-2
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| PubChem CID |
15250
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| Appearance |
White to light yellow solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
312.2±11.0 °C at 760 mmHg
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| Melting Point |
85-87ºC
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| Flash Point |
209.3±14.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.525
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| LogP |
3.38
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
14
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| Complexity |
179
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CYWFCPPBTWOZSF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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| Chemical Name |
2-[4-(2-methylpropyl)phenyl]acetic 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 Note: Please store this product in a sealed and protected environment, 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) |
DMSO : ~100 mg/mL (~520.16 mM)
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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 | 5.2016 mL | 26.0078 mL | 52.0156 mL | |
| 5 mM | 1.0403 mL | 5.2016 mL | 10.4031 mL | |
| 10 mM | 0.5202 mL | 2.6008 mL | 5.2016 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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