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| Targets |
2-Acetamidophenol is a member of the phenol and acetamide classes. As a regioisomer of Paracetamol, it may share some of its analgesic and anti-inflammatory properties. However, its precise molecular target is not well-defined. It is an impurity of Acetaminophen and is studied for its potential therapeutic applications.
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| ln Vitro |
In vitro, 2-Acetamidophenol is characterized as a promising analgesic and anti-arthritic agent. It is the ortho-regioisomer of Paracetamol. Its activity makes it a potential candidate for studying pain and inflammation pathways. However, its primary use is as a research chemical and reference standard.
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| ln Vivo |
In vivo, 2-Acetamidophenol has been studied as a promising analgesic and anti-arthritic agent. As a regioisomer of Paracetamol, it may have similar analgesic and antipyretic effects. However, its in vivo profile is not as well-characterized as Paracetamol. Further studies are needed to evaluate its therapeutic potential.
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| Enzyme Assay |
In vitro assays for 2-Acetamidophenol typically involve analytical method development using HPLC or LC-MS. The compound is used as a reference standard for impurity analysis in Acetaminophen samples. Its analgesic and anti-inflammatory activity can be assessed in cell-based assays measuring prostaglandin production or cytokine release.
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| Cell Assay |
For in vitro cell-based assays, cells are cultured and treated with 2-Acetamidophenol at various concentrations. Its effects on cell viability and inflammatory markers are assessed. Its potential as an analgesic is evaluated by measuring its ability to inhibit prostaglandin synthesis. Cell viability is assessed by standard assays.
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| Animal Protocol |
In vivo animal studies with 2-Acetamidophenol are conducted in models of pain and inflammation. The compound is administered orally or intraperitoneally. Analgesic effects are assessed using behavioral tests such as the hot plate test or tail flick test. Anti-inflammatory effects are assessed in models such as carrageenan-induced paw edema.
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| ADME/Pharmacokinetics |
2-Acetamidophenol (CAS: 614-80-2) has a molecular weight of 151.16 g/mol and a molecular formula of C8H9NO2. Appearance: solid powder. Melting point: 205-210 °C. Synonyms: Orthocetamol, o-Hydroxyacetanilide, HPAA. Storage: below +30°C.
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| Toxicity/Toxicokinetics |
2-Acetamidophenol 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 |
2-Acetaminophenol is a phenolic compound, specifically a type of 2-aminophenol, in which one hydrogen atom on the amino group is replaced by an acetyl group. It is a positional isomer of acetaminophen and possesses anti-inflammatory, anti-arthritis, and anti-platelet aggregation properties. It can be used as a platelet aggregation inhibitor, anti-inflammatory drug, exogenous metabolite, apoptosis inducer, antitumor drug, and antirheumatic drug. It belongs to the phenolic and acetamide classes. 2-Acetaminophenol has been reported to exist in plants of the genera Huperzia serrata and Streptomyces xanthophaeus, and relevant data are available. See also: acetaminophen (note moved to); 2-hydroxy-N-phenylacetamide (note moved to).
2-Acetamidophenol (Orthocetamol) is the ortho-regioisomer of Paracetamol and a promising analgesic and anti-arthritic agent. It has the CAS number 614-80-2 and a molecular weight of 151.16 g/mol. It is not FDA-approved and is intended for research use only. |
| Molecular Formula |
C₈H₉NO₂
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| Molecular Weight |
151.16
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| Exact Mass |
151.063
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| CAS # |
614-80-2
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| PubChem CID |
11972
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
343.1±25.0 °C at 760 mmHg
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| Melting Point |
205-210 °C(lit.)
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| Flash Point |
161.3±23.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.619
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| LogP |
0.72
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
147
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(NC1=CC=CC=C1O)=O
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| InChi Key |
ADVGKWPZRIDURE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
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| Chemical Name |
N-(2-hydroxyphenyl)acetamide
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| Synonyms |
2Acetamidophenol; 2 Acetamidophenol
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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 : ~50 mg/mL (~330.78 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.54 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 (16.54 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6155 mL | 33.0775 mL | 66.1551 mL | |
| 5 mM | 1.3231 mL | 6.6155 mL | 13.2310 mL | |
| 10 mM | 0.6616 mL | 3.3078 mL | 6.6155 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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