| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Cyclooxygenase-1 (COX-1) and Cyclooxygenase-2 (COX-2). 1-Hydroxy-ibuprofen functions as an anti-inflammatory inhibitor by specifically targeting both COX-1 and COX-2 enzymes, with IC50 values of 13 uM and 370 uM for COX-1 and COX-2, respectively, similar to its parent compound ibuprofen.
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| ln Vitro |
In vitro, 1-Hydroxy-ibuprofen exhibits anti-inflammatory activity by inhibiting COX-1 and COX-2 enzymatic activity. It is a metabolite of ibuprofen found in the plant P. australis and retains the ability to suppress prostaglandin synthesis. In cell-based models of inflammation, it reduces the production of pro-inflammatory prostaglandins and thromboxanes.
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| ln Vivo |
No detailed in vivo pharmacological studies are available for 1-Hydroxy-ibuprofen alone. However, as the primary oxidative metabolite of ibuprofen, it is produced in vivo following ibuprofen administration. In animal models, the metabolite contributes to the overall anti-inflammatory, analgesic, and antipyretic effects observed with ibuprofen treatment.
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| Enzyme Assay |
A COX inhibition assay is performed using purified human or ovine COX-1 and COX-2 enzymes. The enzymes are incubated with arachidonic acid (substrate) in the presence of serially diluted 1-Hydroxy-ibuprofen (0.1-1000 uM). The reaction is stopped by adding HCl, and prostaglandin (PGE2) production is quantified using an ELISA kit. The IC50 is calculated from the dose-response curve.
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| Cell Assay |
For in vitro cellular assays, murine macrophages (RAW 264.7) or human whole blood are stimulated with lipopolysaccharide (LPS, 1 ug/mL) to induce COX-2 expression. Cells are treated with serially diluted 1-Hydroxy-ibuprofen (0.1-1000 uM) for 24 hours. Supernatant prostaglandin E2 (PGE2) levels are measured by ELISA, and cell viability is assessed using MTT or CellTiter-Glo assay to rule out cytotoxicity.
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| Animal Protocol |
No dedicated in vivo animal studies are reported for 1-Hydroxy-ibuprofen alone. For pharmacokinetic studies in rats, ibuprofen is administered orally (10-50 mg/kg), and blood samples are collected at multiple time points. Plasma is analyzed by LC-MS/MS to quantify the formation of 1-Hydroxy-ibuprofen as a major metabolite, along with parent drug concentrations.
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| ADME/Pharmacokinetics |
1-Hydroxy-ibuprofen has a molecular weight of 222.28 g/mol and a formula of C13H18O3. As a metabolite of ibuprofen, it is more polar than the parent drug, with a higher aqueous solubility (logP ~1.5 vs. 3.5 for ibuprofen). In humans, it has a shorter plasma half-life (approximately 1-2 hours) and is further metabolized to carboxy-ibuprofen before renal excretion.
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| Toxicity/Toxicokinetics |
Detailed toxicological data specific to 1-Hydroxy-ibuprofen are not publicly available. As a metabolite of ibuprofen, it is considered to have a lower risk of gastrointestinal toxicity than the parent drug due to its reduced ability to partition into cell membranes. High concentrations may still inhibit COX-1 in the gastric mucosa, potentially leading to mild ulcerogenic effects, though less pronounced than ibuprofen.
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| References |
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| Additional Infomation |
1-Hydroxyibuprofen is a monocarboxylic acid and belongs to the benzene family of compounds.
1-Hydroxy-ibuprofen is a research-grade reference standard, not approved for clinical use. It is used in DMPK studies to identify and quantify ibuprofen metabolites in biological samples, and to evaluate drug-drug interactions involving CYP2C9 and CYP2C8 enzymes responsible for its formation. This product is for laboratory research purposes only. |
| Molecular Formula |
C13H18O3
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|---|---|
| Molecular Weight |
222.28
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| Exact Mass |
222.126
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| CAS # |
53949-53-4
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| PubChem CID |
45117195
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
80-85ºC
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| LogP |
2.564
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
16
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| Complexity |
229
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O
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| InChi Key |
RMOQYHYFRKTDRI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
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| Chemical Name |
2-[4-(1-hydroxy-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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.4988 mL | 22.4942 mL | 44.9883 mL | |
| 5 mM | 0.8998 mL | 4.4988 mL | 8.9977 mL | |
| 10 mM | 0.4499 mL | 2.2494 mL | 4.4988 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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