| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Dipyrocetyl exerts its effects primarily through the inhibition of cyclooxygenase (COX) enzymes. It selectively inhibits the COX-2 enzyme while sparing the COX-1 enzyme, which is key to its reduced gastrointestinal side effects compared to non-selective NSAIDs. By targeting COX-2, the compound reduces the production of prostaglandins, which are mediators of inflammation, pain, and fever. Dipyrocetyl is derived from patent WO 2011132171 A1. Its selective COX-2 inhibition profile makes it a valuable tool for studying inflammation pathways.
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| ln Vitro |
Dipyrocetyl has demonstrated anti-inflammatory and analgesic activity in vitro. As a COX-2 selective inhibitor, it reduces prostaglandin synthesis in cell-based assay systems. The compound’s activity is evaluated in various in vitro models of inflammation, including LPS-stimulated macrophages or other inflammatory cell types. Its effects on pro-inflammatory cytokine production and prostaglandin E2 levels are measured to assess efficacy. The compound shows reduced gastrointestinal toxicity compared to non-selective NSAIDs due to its COX-2 selectivity.
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| ln Vivo |
Dipyrocetyl has been evaluated in vivo for its anti-inflammatory and analgesic effects. As a COX-2 selective inhibitor, it reduces inflammation and pain in animal models. The compound’s reduced gastrointestinal side effects compared to non-selective NSAIDs have been demonstrated in preclinical studies. Dipyrocetyl is used in pharmacological research to study inflammation pathways and the modulation of fever and pain responses. Its applications extend to exploring therapeutic strategies for managing inflammatory diseases. Further in vivo studies are ongoing to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for Dipyrocetyl involve measuring COX-1 and COX-2 enzyme activities in cell-free systems. The compound’s selectivity for COX-2 over COX-1 is assessed using purified recombinant enzymes or enzyme preparations from appropriate sources. Enzyme activity is measured by monitoring prostaglandin production from arachidonic acid substrate. IC50 values for COX-1 and COX-2 inhibition are calculated from dose-response curves. The selectivity ratio (COX-1 IC50 / COX-2 IC50) is determined to characterize the compound’s COX-2 selectivity. Assays are performed in appropriate buffer systems with positive controls (e.g., celecoxib for COX-2, ibuprofen for non-selective inhibition).
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| Cell Assay |
In vitro cell-based assays for Dipyrocetyl are conducted in inflammatory cell models such as LPS-stimulated macrophages or other immune cells. Cells are cultured in appropriate media at 37°C with 5% CO2. Dipyrocetyl is added at varying concentrations (typically 0.1-100 μM) prior to or following LPS stimulation. Prostaglandin E2 levels in culture supernatants are measured by ELISA. Pro-inflammatory cytokine production (TNF-α, IL-1β, IL-6) may also be assessed. Cell viability is evaluated by MTT assay to ensure compound concentrations are not cytotoxic. Experiments are performed in triplicate with appropriate positive (e.g., celecoxib) and negative (vehicle) controls.
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| Animal Protocol |
In vivo animal studies for Dipyrocetyl are conducted in rodent models of inflammation and pain. For anti-inflammatory evaluation, the carrageenan-induced paw edema model in rats is commonly used. Dipyrocetyl is administered orally or intraperitoneally prior to carrageenan injection. Paw swelling is measured at various time points. For analgesic assessment, the hot plate test or tail flick test in mice may be used. For antipyretic evaluation, yeast-induced fever models in rats are employed. Dosing regimens are optimized based on pharmacokinetic data. Animals are monitored for clinical signs, and tissues may be collected for biomarker analysis.
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| ADME/Pharmacokinetics |
Dipyrocetyl (MW 238.19 g/mol, C11H10O6) is a small molecule with favorable drug-like properties. The compound is an ester prodrug of salicylic acid derivatives. As a COX-2 selective inhibitor, it has favorable pharmacokinetic properties for oral administration. The compound is metabolized to active metabolites that exert anti-inflammatory and analgesic effects. Following administration, dipyrocetyl is distributed to tissues with high COX-2 expression. Pharmacokinetic parameters including oral bioavailability, half-life, and tissue distribution have been characterized in preclinical studies. The compound shows stability under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Dipyrocetyl has a favorable safety profile due to its COX-2 selectivity, which reduces gastrointestinal side effects compared to non-selective NSAIDs. The compound has been evaluated in preclinical studies for its anti-inflammatory and analgesic effects with acceptable tolerability. Standard safety precautions should be followed when handling. The compound is intended for research use only. Comprehensive toxicological evaluation would be required for therapeutic development. No significant adverse effects have been reported in the available literature at research-use concentrations.
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| Additional Infomation |
2,3-Diaacetoxybenzoic acid is a carboxylic acid ester, belonging to the salicylates and benzoic acids.
Dipyrocetyl is an anti-inflammatory and analgesic agent that selectively inhibits COX-2 while sparing COX-1. This selectivity profile results in reduced gastrointestinal side effects compared to non-selective NSAIDs. The compound is derived from patent WO 2011132171 A1. It is used in pharmacological research to study inflammation pathways and the modulation of fever and pain responses. Its applications extend to exploring therapeutic strategies for managing inflammatory diseases. Dipyrocetyl serves as a valuable tool for studying COX-2-mediated inflammation and the development of selective anti-inflammatory agents. All applications are limited to non-human research use. |
| Molecular Formula |
C11H10O6
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|---|---|
| Molecular Weight |
238.1935
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| Exact Mass |
238.048
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| CAS # |
486-79-3
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| PubChem CID |
68093
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| Appearance |
White to off-white solid powder
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| Density |
1.344g/cm3
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| Boiling Point |
400ºC at 760mmHg
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| Flash Point |
156.7ºC
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| Vapour Pressure |
4.07E-07mmHg at 25°C
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| Index of Refraction |
1.543
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| LogP |
1.235
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
17
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| Complexity |
324
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)C1=CC=CC(OC(C)=O)=C1OC(C)=O
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| InChi Key |
NYIZXMGNIUSNKL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)
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| Chemical Name |
2,3-diacetyloxybenzoic 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 (~419.83 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.50 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 (10.50 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 (10.50 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 | 4.1983 mL | 20.9916 mL | 41.9833 mL | |
| 5 mM | 0.8397 mL | 4.1983 mL | 8.3967 mL | |
| 10 mM | 0.4198 mL | 2.0992 mL | 4.1983 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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