| Size | Price | Stock | Qty |
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| 1g |
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| Other Sizes |
| Targets |
Cyclooxygenase-1 (COX-1) and Cyclooxygenase-2 (COX-2). Ibuprofen Impurity F is a COX-1 and COX-2 inhibitor with IC50 values of 13 uM for COX-1 and 370 uM for COX-2, similar to its parent compound, ibuprofen. It blocks the conversion of arachidonic acid to prostaglandins, thereby exerting anti-inflammatory, analgesic, and antipyretic effects, though it is not used as a therapeutic agent.
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| ln Vitro |
In vitro, Ibuprofen Impurity F acts as a COX-1 and COX-2 inhibitor with IC50 values of 13 uM and 370 uM, respectively, mirroring the activity of its parent compound, ibuprofen. It is primarily used as a reference standard for the identification and quantification of ibuprofen-related substances in pharmaceutical formulations by HPLC. Its biological activity is similar to that of ibuprofen but it is not intended for therapeutic use.
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| ln Vivo |
No in vivo studies are reported for Ibuprofen Impurity F as a standalone compound. As an impurity of ibuprofen, if present in drug products at specified limits, it may contribute negligibly to the overall in vivo pharmacological effects. It is not administered alone in animal models and is intended for analytical, not in vivo research applications. A pharmacokinetic study in rats using ibuprofen impurity F as an analytical standard would involve LC-MS/MS quantification following ibuprofen administration.
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| Enzyme Assay |
A COX inhibition assay is performed using purified ovine COX-1 and human recombinant COX-2 enzymes. The enzymes are pre-incubated with serially diluted Ibuprofen Impurity F (0.1-1000 uM) for 10 minutes at room temperature. Arachidonic acid (100 uM) is then added, and the reaction proceeds for 2 minutes at 37degC. The reaction is stopped with 1 M HCl, and PGE2 production is quantified by ELISA. The IC50 for each isoform is calculated from the dose-response curve.
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| Cell Assay |
For in vitro cellular assays, murine macrophages (RAW 264.7) are stimulated with lipopolysaccharide (LPS, 1 ug/mL) to induce COX-2 expression. Cells are treated with serially diluted Ibuprofen Impurity F (0.1-1000 uM) for 24 hours. Supernatant prostaglandin E2 (PGE2) levels are measured by ELISA. Cell viability is assessed using an MTT or CellTiter-Glo assay to confirm that observed effects are not due to cytotoxicity. For COX-1 activity, serum TXB2 levels are measured using ELISA.
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| Animal Protocol |
No in vivo animal studies are performed for Ibuprofen Impurity F as a standalone compound. It is a reference impurity used in the quality control of ibuprofen drug products. For impurity profiling, the compound is spiked into ibuprofen samples at specified concentrations (e.g., 0.1-2% of ibuprofen peak area) and analyzed by HPLC-UV or LC-MS/MS according to pharmacopoeial methods (European Pharmacopoeia, United States Pharmacopeia) to separate and quantify known and unknown impurities. Forced degradation studies are conducted by exposing ibuprofen to heat, light, acid, base, and oxidation, with Ibuprofen Impurity F serving as a marker for stability.
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| ADME/Pharmacokinetics |
Ibuprofen Impurity F has a molecular weight of 206.28 g/mol and a formula of C13H18O2. Its molecular structure is 3-[4-(2-methylpropyl)phenyl]propanoic acid. It is a non-therapeutic impurity standard that is not intended for in vivo administration. Its physicochemical properties are similar to ibuprofen (LogP ~3.5), but it is used solely for analytical purposes. Solubility in DMSO is high (>50 mg/mL). Detailed PK parameters are not available.
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| Toxicity/Toxicokinetics |
Detailed toxicological data specific to Ibuprofen Impurity F are not publicly available. As an ibuprofen-related substance, it is considered a low-level impurity and is not expected to contribute significantly to the toxicity profile of ibuprofen drug products when present within regulatory limits (typically <0.1-0.5%). Pharmacopoeias specify acceptable limits for impurities in pharmaceuticals to ensure patient safety. At high concentrations, it would be expected to have similar gastrointestinal and renal toxicity as ibuprofen.
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| References |
[1]. Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7.
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| Additional Infomation |
Ibuprofen Impurity F is a research-grade analytical standard, not approved for clinical use. It is used in pharmaceutical quality control to meet regulatory requirements for impurity profiling of ibuprofen drug substances and drug products. It is also used in forced degradation studies, stability-indicating HPLC method development, and for the identification of ibuprofen-related impurities in raw materials and finished products. This product is for laboratory research only.
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| Molecular Formula |
C13H18O2
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|---|---|
| Molecular Weight |
206.28
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| Exact Mass |
206.131
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| CAS # |
65322-85-2
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| PubChem CID |
9834277
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.034 g/cm3
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| Boiling Point |
327.445ºC at 760 mmHg
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| Flash Point |
224.48ºC
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| LogP |
2.902
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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 |
5
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| Heavy Atom Count |
15
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| Complexity |
191
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
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| InChi Key |
DYNVRFFVBZVRND-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
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| Chemical Name |
3-[4-(2-methylpropyl)phenyl]propanoic 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 (484.78 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.12 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 (12.12 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 (12.12 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 | 4.8478 mL | 24.2389 mL | 48.4778 mL | |
| 5 mM | 0.9696 mL | 4.8478 mL | 9.6956 mL | |
| 10 mM | 0.4848 mL | 2.4239 mL | 4.8478 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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