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| Other Sizes |
| Targets |
4-Acetylaniline does not have a single well-defined molecular target but is used as a biochemical reagent. It is a strong inducer of methemoglobin in vivo. Methemoglobinemia is a condition in which hemoglobin is oxidized to methemoglobin, which cannot carry oxygen effectively. The compound's mechanism of action involves the oxidation of hemoglobin. It is used in toxicology for treating intoxications with cyanogenic toxic substances.
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| ln Vitro |
In vitro, 4-acetylaniline is used as a biochemical reagent for life science related research. Its ability to induce methemoglobin formation has been characterized in biochemical assays using hemoglobin or red blood cell preparations. The compound is a strong inducer of methemoglobin in vivo. Its use in toxicology for treating cyanogenic intoxications has been studied.
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| ln Vivo |
In vivo, 4-acetylaniline is a strong inducer of methemoglobin. Methemoglobinemia has been observed in oral lethal-dose studies of dogs. The compound is used in toxicology for treating intoxications with cyanogenic toxic substances. It is an irritant and is toxic if swallowed. The compound may be harmful by inhalation or skin absorption.
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| Enzyme Assay |
In non-cell-based biochemical assays, 4-acetylaniline is evaluated using standard analytical methods. Its purity is assessed using HPLC. Its chemical properties, including the amino and acetyl functional groups, are characterized using NMR and mass spectrometry. The compound's ability to induce methemoglobin formation is assessed using biochemical assays with hemoglobin or red blood cell preparations.
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| Cell Assay |
In vitro cellular assays for 4-acetylaniline involve testing its effects on cultured cells. The compound's ability to induce methemoglobin formation may be assessed using red blood cell cultures. Its cytotoxicity and effects on cellular oxidative stress may be evaluated. However, specific cellular assay data are limited in publicly available sources.
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| Animal Protocol |
In vivo animal studies for 4-acetylaniline have been conducted to assess its toxicity and methemoglobin-inducing effects. The compound is typically administered via oral routes. Methemoglobinemia has been observed in oral lethal-dose studies of dogs. The compound is an irritant and is toxic if swallowed. It may be harmful by inhalation or skin absorption.
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| ADME/Pharmacokinetics |
4-Acetylaniline has a molecular weight of 135.16 and a molecular formula of C8H9NO. It is a biochemical compound used as a biomaterial or organic/chemical reagent for biomedical research. The compound is a strong inducer of methemoglobin in vivo. It is used in toxicology for treating intoxications with cyanogenic toxic substances.
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| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Rat intraperitoneal injection LD50: 260 mg/kg 4-Acetylaniline is an irritant and is toxic if swallowed. It may be harmful by inhalation or skin absorption. The compound is a strong inducer of methemoglobin in vivo. It should be handled with appropriate safety precautions, including the use of personal protective equipment. It should be stored and handled in accordance with standard laboratory safety guidelines for aniline derivatives. |
| Additional Infomation |
Mechanism of Action
p-Aminoacetophenone is a potent methemoglobin-forming agent in vivo. 4-Acetylaniline (4-Aminoacetophenone) is a biochemical compound used as a biomaterial or organic/chemical reagent for biomedical research. It is a strong inducer of methemoglobin in vivo. The compound is used in toxicology for treating intoxications with cyanogenic toxic substances. 4-Acetylaniline is not an approved drug and is intended for research use only. |
| Molecular Formula |
C8H9O
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|---|---|
| Molecular Weight |
135.17
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| Exact Mass |
135.068
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| CAS # |
99-92-3
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| PubChem CID |
7468
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| Appearance |
Yellow monoclinic prisms from alcohol
Yellow needles |
| Density |
1.1±0.1 g/cm3
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| Boiling Point |
294.8±13.0 °C at 760 mmHg
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| Melting Point |
103-107 °C(lit.)
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| Flash Point |
132.1±19.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.571
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| LogP |
0.41
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
125
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])[H]
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| InChi Key |
GPRYKVSEZCQIHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
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| Chemical Name |
4'-Aminoacetophenone
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| Synonyms |
4-Acetylaniline NSC-3242 NSC3242NSC 3242
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
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
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| 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 | 7.3981 mL | 36.9905 mL | 73.9809 mL | |
| 5 mM | 1.4796 mL | 7.3981 mL | 14.7962 mL | |
| 10 mM | 0.7398 mL | 3.6990 mL | 7.3981 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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