| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
4-Acetamidophenyl acetate targets cyclooxygenase-2 (COX-2) as a selective inhibitor with an IC50 of 25.8 μM. It also inhibits hepatic N-acetyltransferase 2 (NAT2). Its activity at COX-2 is similar to Acetaminophen, but it is less potent. It is primarily used as an analytical reference standard.
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|---|---|
| ln Vitro |
In vitro, 4-Acetamidophenyl acetate is a selective COX-2 inhibitor with an IC50 of 25.8 μM and a potent NAT2 inhibitor. It is an impurity of Acetaminophen. Its activity makes it a potential tool for studying COX-2 inhibition and NAT2 function, though its primary use is as a reference standard.
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| ln Vivo |
In vivo, 4-Acetamidophenyl acetate is not used as a therapeutic agent. It is an impurity of Acetaminophen and is used as a reference standard for analytical method development and quality control. Its in vivo effects are not characterized, as it is not intended for human use.
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| Enzyme Assay |
In vitro assays for 4-Acetamidophenyl acetate typically involve analytical method development using HPLC or LC-MS. The compound is used as a reference standard to identify and quantify the impurity in Acetaminophen samples. Its retention time and mass spectrum are characterized for method validation. COX-2 inhibition assays can be performed using recombinant COX-2 and a substrate.
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| Cell Assay |
For in vitro cell-based assays, 4-Acetamidophenyl acetate is not typically used, as it is an impurity and not a pharmacological agent. It could be used to study its potential effects on COX-2 activity if necessary, but its primary role is as an analytical reference standard. Cell viability and other cellular effects are not typically assessed for this compound.
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| Animal Protocol |
In vivo animal studies with 4-Acetamidophenyl acetate are not typically performed, as it is an impurity and not a therapeutic candidate. Its use is confined to analytical and quality control applications. The compound is not intended for in vivo pharmacological evaluation.
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| ADME/Pharmacokinetics |
4-Acetamidophenyl acetate (CAS: 2623-33-8) has a molecular weight of 193.20 g/mol and a molecular formula of C10H11NO3. Appearance: solid. Purity: ≥98%. Synonyms: Diacetamate, p-Acetoxyacetanilide. Storage: room temperature. The compound is an impurity of Acetaminophen.
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| Toxicity/Toxicokinetics |
4-Acetamidophenyl acetate is a research compound and is not approved for human therapeutic use. As an impurity standard, it is used in very small quantities and does not pose significant toxicity risks under normal handling. Standard laboratory safety precautions should be followed when handling the compound.
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| Additional Infomation |
4-Acetamidophenyl acetate (Diacetamate, p-Acetoxyacetanilide) is an impurity of Acetaminophen (paracetamol). It is a selective COX-2 inhibitor (IC50 = 25.8 μM) and a potent NAT2 inhibitor. It has the CAS number 2623-33-8 and a molecular weight of 193.20 g/mol. It is not FDA-approved and is intended for research and analytical use only.
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| Molecular Formula |
C₁₀H₁₁NO₃
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|---|---|
| Molecular Weight |
193.20
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| Exact Mass |
193.073
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| CAS # |
2623-33-8
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| PubChem CID |
17499
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
376.4±25.0 °C at 760 mmHg
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| Melting Point |
155°C
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| Flash Point |
181.4±23.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.561
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| LogP |
0.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
219
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C([H])([H])[H])=O)C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(C([H])([H])[H])=O
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| InChi Key |
UJAOSPFULOFZRR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
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| Chemical Name |
(4-acetamidophenyl) acetate
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| Synonyms |
4Acetamidophenyl acetate; 4 Acetamidophenyl acetate
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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 (~517.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.94 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 (12.94 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 (12.94 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 | 5.1760 mL | 25.8799 mL | 51.7598 mL | |
| 5 mM | 1.0352 mL | 5.1760 mL | 10.3520 mL | |
| 10 mM | 0.5176 mL | 2.5880 mL | 5.1760 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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