| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
| Targets |
(3-Benzoylphenyl)acetic acid targets the cyclooxygenase (COX) enzymes, specifically COX-1 and COX-2, which are key enzymes in the prostaglandin biosynthesis pathway. It inhibits human recombinant COX-1 with an IC50 of 0.5 μM and COX-2 with an IC50 of 2.33 μM. By inhibiting COX enzymes, the compound reduces the production of pro-inflammatory prostaglandins, thereby exerting its anti-inflammatory and analgesic effects. Its activity against COX enzymes is similar to that of its parent compound, ketoprofen.
|
|---|---|
| ln Vitro |
In vitro, (3-Benzoylphenyl)acetic acid demonstrates anti-inflammatory activity through the inhibition of COX-1 and COX-2 enzymes. It inhibits human recombinant COX-1 with an IC50 of 0.5 μM and COX-2 with an IC50 of 2.33 μM. The compound's anti-inflammatory and analgesic activities are attributed to this COX inhibition. It is also reported to have activity as a neoplasia inhibitor and may be utilized in the research of angiogenesis-related diseases.
|
| ln Vivo |
In vivo, (3-Benzoylphenyl)acetic acid is expected to exhibit anti-inflammatory and analgesic activities similar to other NSAIDs. As a metabolite of ketoprofen, it may contribute to the overall pharmacological effect of the parent drug. However, specific in vivo efficacy data for this compound, including animal models, dosing regimens, and pharmacokinetic-pharmacodynamic relationships, are not detailed in the available literature. The compound is primarily used as a research tool and reference standard.
|
| Enzyme Assay |
In vitro enzyme assays for (3-Benzoylphenyl)acetic acid typically involve measuring its inhibition of COX-1 and COX-2 activity. Recombinant human COX-1 or COX-2 enzymes are incubated with arachidonic acid substrate in the presence of varying concentrations of the compound. The production of prostaglandins is measured, and the IC50 for inhibition is calculated. The compound shows IC50 values of 0.5 μM for COX-1 and 2.33 μM for COX-2. These assays are used to characterize the compound's anti-inflammatory activity.
|
| Cell Assay |
Cellular assays for (3-Benzoylphenyl)acetic acid are typically performed using inflammatory cell models, such as macrophages or other immune cells. Cells are stimulated with LPS or other inflammatory agents in the presence or absence of the compound, and the production of pro-inflammatory cytokines or prostaglandins is measured. The compound's ability to reduce inflammatory mediator production is assessed. These assays are used to study the cellular pharmacology of the compound.
|
| Animal Protocol |
In vivo animal studies with (3-Benzoylphenyl)acetic acid are not extensively documented in the available literature. Based on its anti-inflammatory and analgesic activities, potential in vivo models could include carrageenan-induced paw edema in rats or other standard models of inflammation and pain. In such studies, the compound would be administered orally or intraperitoneally, and endpoints would include paw swelling, pain threshold, and inflammatory markers. However, specific protocols are not detailed in the available sources.
|
| ADME/Pharmacokinetics |
(3-Benzoylphenyl)acetic acid has a molecular weight of 240.25 and is soluble in DMSO. It is stable as a powder when stored at -20°C for up to 3 years or at 4°C for up to 2 years. For in vivo administration, it can be formulated using a vehicle such as DMSO: Tween 80: Saline = 10:5:85. However, detailed pharmacokinetic parameters such as half-life, bioavailability, and clearance are not extensively reported in the available literature.
|
| Toxicity/Toxicokinetics |
Comprehensive toxicology data for (3-Benzoylphenyl)acetic acid are not extensively reported. As a COX inhibitor, it may have similar side effects to other NSAIDs, including gastrointestinal and renal toxicity. The compound is classified as a research-use-only chemical and is not intended for human consumption. Specific toxicological data, including acute toxicity, genotoxicity, and target organ effects, are not reported in the available literature.
|
| Additional Infomation |
(3-Benzoylphenyl)acetic acid is a research-grade compound and the primary metabolite of the NSAID ketoprofen. It is not approved for clinical use as a therapeutic agent. Its primary applications are as a reference standard in analytical method development for ketoprofen impurity testing, and as a research tool for studying COX inhibition and inflammation. The compound is also used to study angiogenesis-related disorders.
|
| Molecular Formula |
C15H12O3
|
|---|---|
| Molecular Weight |
240.258
|
| Exact Mass |
240.078
|
| CAS # |
22071-22-3
|
| PubChem CID |
30931
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
438.5±28.0 °C at 760 mmHg
|
| Melting Point |
111ºC
|
| Flash Point |
233.1±20.5 °C
|
| Vapour Pressure |
0.0±1.1 mmHg at 25°C
|
| Index of Refraction |
1.605
|
| LogP |
2.47
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
18
|
| Complexity |
305
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1C([H])=C([H])C([H])=C([H])C=1[H])C1=C([H])C([H])=C([H])C(C([H])([H])C(=O)O[H])=C1[H]
|
| InChi Key |
ALDSXDRDRWDASQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)
|
| Chemical Name |
(3-Benzoylphenyl)acetic acid
|
| Synonyms |
m-Benzoylphenylacetic acid RU 4462RU4462 RU-4462
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 4.1622 mL | 20.8108 mL | 41.6216 mL | |
| 5 mM | 0.8324 mL | 4.1622 mL | 8.3243 mL | |
| 10 mM | 0.4162 mL | 2.0811 mL | 4.1622 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
