| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Parcetasal targets prostaglandin synthetase (PGS), which is the enzyme system responsible for the synthesis of prostaglandins. By inhibiting this enzyme, it reduces the production of prostaglandins, which are mediators of pain and inflammation. As a modulator of PGS, it acts similarly to other NSAIDs like aspirin and paracetamol.
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| ln Vitro |
In vitro, Parcetasal is expected to inhibit prostaglandin synthesis. As a derivative of both aspirin and paracetamol, it likely shares their mechanism of action, which is the inhibition of cyclooxygenase (COX) enzymes. However, specific in vitro potency data, such as IC50 values for COX-1 and COX-2 inhibition, are not widely reported in the available literature for this specific compound.
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| ln Vivo |
In vivo, Parcetasal has been investigated as a non-steroidal anti-inflammatory analgesic. Its design as a mutual prodrug of aspirin and paracetamol aims to provide the analgesic and anti-inflammatory benefits of both drugs while potentially improving the safety profile by reducing the gastrointestinal toxicity associated with aspirin and the hepatotoxicity associated with paracetamol.
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| Enzyme Assay |
The in vitro enzyme assay for Parcetasal would likely involve measuring its inhibitory effect on cyclooxygenase (COX-1 and COX-2) enzymes. The compound is incubated with the enzyme, arachidonic acid substrate, and cofactors. The production of prostaglandins (e.g., PGE2) is measured using ELISA or a radiometric assay, and the IC50 is calculated from the inhibition curve.
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| Cell Assay |
In vitro cell culture studies for Parcetasal are not standard, as it is a small molecule analgesic. However, its effects could be studied in cell lines relevant to inflammation, such as macrophages. Cells would be treated with the compound and stimulated with LPS to induce an inflammatory response. The production of inflammatory mediators like prostaglandins, cytokines (TNF-α, IL-6), and nitric oxide would be measured to assess its anti-inflammatory activity.
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| Animal Protocol |
In vivo animal models for Parcetasal would include standard models of pain and inflammation. The analgesic effect would be assessed using the acetic acid-induced writhing test in mice or the tail-flick test in rats. The anti-inflammatory effect would be evaluated in the carrageenan-induced paw edema model in rats. The compound would be administered orally, and the reduction in pain response or paw swelling would be measured.
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| ADME/Pharmacokinetics |
Parcetasal has a molecular weight of 313.30 g/mol and is a solid compound. It is soluble in organic solvents like DMSO. As a research compound, its pharmacokinetic properties are not fully characterized, but it is designed to be metabolized to release its active components, aspirin and paracetamol, following oral administration. It is stored as a powder at room temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for Parcetasal are limited. Its development was likely driven by a desire to reduce the toxicity of its parent drugs. By linking aspirin and paracetamol, the hope was to reduce the gastrointestinal irritation of aspirin and the hepatic toxicity of paracetamol. However, comprehensive toxicology data are not available in the public domain.
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| References |
[1]. https://pubchem.ncbi.nlm.nih.gov/compound/65656
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| Additional Infomation |
Parcetasal is a research compound that has not been approved for clinical use. It represents a rational drug design approach, creating a mutual prodrug of two well-known analgesics. While it has not become a commercial product, it serves as an example of how chemical modification can be used to modify the pharmacokinetic and toxicity profile of existing drugs.
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| Molecular Formula |
C17H15NO5
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|---|---|
| Molecular Weight |
313.3047
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| Exact Mass |
313.095
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| CAS # |
87549-36-8
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| PubChem CID |
65656
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| Appearance |
White to light yellow solid at room temperature
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| Density |
1.328g/cm3
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| Boiling Point |
590ºC at 760 mmHg
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| Flash Point |
310.6ºC
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| Index of Refraction |
1.615
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| LogP |
3.596
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
23
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| Complexity |
460
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C(=CC=CC=2)OC(C)(OC2C=CC(NC(C)=O)=CC=2)O1
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| InChi Key |
ZAPRLADYRFPQSH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H15NO5/c1-11(19)18-12-7-9-13(10-8-12)21-17(2)22-15-6-4-3-5-14(15)16(20)23-17/h3-10H,1-2H3,(H,18,19)
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| Chemical Name |
N-[4-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)oxy]phenyl]acetamide
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| Synonyms |
Parcetasal; 87549-36-8; Parcetasal [INN]; Parcetasalum; Parcetasalum [INN-Latin];
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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 : ~125 mg/mL (~398.98 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.64 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 20.8 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: 2.08 mg/mL (6.64 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (6.64 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 | 3.1918 mL | 15.9591 mL | 31.9183 mL | |
| 5 mM | 0.6384 mL | 3.1918 mL | 6.3837 mL | |
| 10 mM | 0.3192 mL | 1.5959 mL | 3.1918 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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