| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
2-Hydroxy Ibuprofen targets cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2), similar to its parent drug Ibuprofen. COX enzymes catalyze the conversion of arachidonic acid to prostaglandins, which are mediators of inflammation and pain. Ibuprofen inhibits COX-1 with an IC50 of 13 μM and COX-2 with an IC50 of 370 μM. As a metabolite, 2-Hydroxy Ibuprofen likely retains some COX inhibitory activity, though its potency may be reduced compared to the parent drug.
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| ln Vitro |
In vitro studies have demonstrated that 2-Hydroxy Ibuprofen is a metabolite of Ibuprofen. Ibuprofen inhibits COX-1 with an IC50 of 13 μM and COX-2 with an IC50 of 370 μM and has anti-inflammatory activity. The compound is used in biochemical experiments and drug synthesis research. As a metabolite, it contributes to the overall pharmacological profile of the parent drug. Further detailed in vitro characterization data are limited.
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| ln Vivo |
In vivo studies of 2-Hydroxy Ibuprofen are conducted in the context of Ibuprofen metabolism and pharmacokinetics. As a metabolite of Ibuprofen, it is formed in vivo following Ibuprofen administration. Its COX inhibitory activity contributes to the anti-inflammatory effects of the parent drug. The compound is used in pharmacokinetic and pharmacodynamic studies of Ibuprofen and its metabolites.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for 2-Hydroxy Ibuprofen typically involve COX-1 and COX-2 inhibition studies using recombinant enzymes. COX-1 or COX-2 is incubated with increasing concentrations of 2-Hydroxy Ibuprofen (0.01-100 μM) and a substrate (arachidonic acid) in assay buffer at 37°C for 30-60 minutes. Prostaglandin production is measured by ELISA or by quantifying oxygen consumption. IC50 values are calculated from dose-response curves by nonlinear regression. Ibuprofen is used as a positive control.
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| Cell Assay |
For in vitro cell-based assays, cells expressing COX-1 or COX-2 are cultured in appropriate media. Cells are treated with 2-Hydroxy Ibuprofen at concentrations ranging from 0.01-100 μM for 24-72 hours. COX inhibition is assessed by measuring prostaglandin E2 (PGE2) production in culture supernatants by ELISA. Cell viability is assessed by MTT or CCK-8 assays. Anti-inflammatory activity is confirmed by measuring other inflammatory mediators such as TNF-α, IL-6, and NO. The compound's selectivity for COX-1 versus COX-2 can be assessed.
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| Animal Protocol |
In vivo animal studies with 2-Hydroxy Ibuprofen are limited, as the compound is primarily studied as a metabolite of Ibuprofen. Anti-inflammatory activity can be assessed in animal models of inflammation (e.g., carrageenan-induced paw edema). The compound would be administered orally or intraperitoneally. Inflammatory markers and PGE2 levels would be measured. However, specific published protocols are limited. The compound is used in biochemical experiments and drug synthesis research.
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| ADME/Pharmacokinetics |
2-Hydroxy Ibuprofen has a molecular weight of 222.28 g/mol and molecular formula C13H18O3. The compound is a metabolite of Ibuprofen. IUPAC name: 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid. Pharmacokinetic properties are similar to other ibuprofen metabolites, with hepatic metabolism and renal excretion. The compound is used as a research reagent for pharmacokinetic and metabolic studies.
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| Toxicity/Toxicokinetics |
As a metabolite of Ibuprofen, 2-Hydroxy Ibuprofen is expected to have a similar toxicity profile to other ibuprofen metabolites. Ibuprofen is generally well-tolerated with side effects including gastrointestinal effects and renal effects at high doses. The compound is used in very small quantities as a research reagent and does not pose significant toxicity risks under normal handling.
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| References | |
| Additional Infomation |
2-Hydroxyibuprofen is a hydroxy monocarboxylic acid, a compound formed when the methylene proton on the isobutyl group of ibuprofen is replaced by a hydroxyl group. It is a drug metabolite. It is both a hydroxy monocarboxylic acid and a tertiary alcohol.
2-Hydroxy Ibuprofen ((±)-2-Hydroxy Ibuprofen) is a metabolite of Ibuprofen, a nonsteroidal anti-inflammatory drug (NSAID). It has a molecular weight of 222.28 g/mol and molecular formula C13H18O3. Ibuprofen is an inhibitor of COX-1 and COX-2 with IC50 values of 13 μM and 370 μM, respectively, and has anti-inflammatory activity. The compound is used in biochemical experiments and drug synthesis research. 2-Hydroxy Ibuprofen is not FDA-approved and is intended for research use only. |
| Molecular Formula |
C13H18O3
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|---|---|
| Molecular Weight |
222.28022
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| Exact Mass |
222.126
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| CAS # |
51146-55-5
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| Related CAS # |
2-Hydroxy Ibuprofen-d6;1217055-71-4
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| PubChem CID |
10443535
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.125 g/cm3
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| Boiling Point |
369.4ºC at 760 mmHg
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| Melting Point |
120-122ºC
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| Index of Refraction |
1.543
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| LogP |
2.188
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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 |
240
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O
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| InChi Key |
UJHKVYPPCJBOSG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)
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| Chemical Name |
2-[4-(2-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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