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| Other Sizes |
| Targets |
4′-Hydroxy-2′-methylacetophenone has been used in the preparation of histamine H3 receptor inverse agonists. It also inhibits the growth of T. pyriformis, a model organism, with an IC50 of 0.65 mM. Its mechanism of action may involve interaction with specific enzymes or receptors, but its primary use is as a chemical intermediate.
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| ln Vitro |
In vitro, 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis with an IC50 of 0.65 mM. This activity is assessed in cell-based assays measuring the growth of the organism. As a chemical intermediate, its activity is typically evaluated in the context of the final compounds synthesized from it.
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| ln Vivo |
In vivo studies for 4′-Hydroxy-2′-methylacetophenone are not extensively detailed in the provided literature. As a chemical intermediate, its in vivo effects are studied in the context of the final drug products synthesized from it. Studies in appropriate animal models would be conducted with the final pharmaceutical compounds rather than the intermediate itself.
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| Enzyme Assay |
For non-cellular studies, 4′-Hydroxy-2′-methylacetophenone is used as a starting material for organic synthesis. Its reactivity and suitability for specific chemical transformations are evaluated. It can be used to prepare morpholine ketone analogs as histamine H3 receptor inverse agonists.
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| Cell Assay |
For cellular studies, 4′-Hydroxy-2′-methylacetophenone is used to study its effects on model organisms such as T. pyriformis. The organism is cultured and treated with varying concentrations of the compound, and growth inhibition is measured. This provides insights into its potential biological activity.
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| Animal Protocol |
In vivo animal studies for 4′-Hydroxy-2′-methylacetophenone are not extensively documented. As a chemical intermediate, its in vivo effects are studied in the context of the final drug products synthesized from it. Studies in appropriate animal models would be conducted with the final pharmaceutical compounds rather than the intermediate itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4′-Hydroxy-2′-methylacetophenone are not extensively detailed in the provided sources. It has a molecular weight of 150.18 and is a white to almost white powder to crystal. It has a melting point of 128.0 to 132.0 °C and a boiling point of 313°C. It should be stored at room temperature.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4′-Hydroxy-2′-methylacetophenone is not explicitly detailed in the provided sources. As a chemical reagent, standard laboratory safety precautions should be followed when handling it. It is intended for research use only and is not for human therapeutic applications. Comprehensive toxicological studies are needed to fully evaluate its safety.
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| References |
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| Additional Infomation |
4-Hydroxy-2-methylacetophenone is a type of acetophenone compound. Its structure consists of a hydroxyl group at the 4-position and a methyl group at the 2-position. It is a metabolite and belongs to the acetophenone and phenolic compounds.
4′-Hydroxy-2′-methylacetophenone is an organic compound with a molecular formula of C9H10O2 and a molecular weight of 150.18. It is used in the synthesis of pharmaceuticals and other fine chemicals and has been used to prepare histamine H3 receptor inverse agonists. This research compound is for laboratory use only and has not been approved for clinical applications. |
| Molecular Formula |
C9H10O2
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|---|---|
| Molecular Weight |
150.18
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| Exact Mass |
150.068
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| CAS # |
875-59-2
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| PubChem CID |
70133
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
313.0±0.0 °C at 760 mmHg
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| Melting Point |
129-131 °C(lit.)
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| Flash Point |
127.9±14.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.546
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| LogP |
1.88
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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 |
11
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| Complexity |
154
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IAMNVCJECQWBLZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
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| Chemical Name |
1-(4-hydroxy-2-methylphenyl)ethanone
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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 : 5 mg/mL (33.29 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.5 mg/mL (3.33 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 5.0 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: ≥ 0.5 mg/mL (3.33 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 5.0 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: ≥ 0.5 mg/mL (3.33 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 | 6.6587 mL | 33.2934 mL | 66.5868 mL | |
| 5 mM | 1.3317 mL | 6.6587 mL | 13.3174 mL | |
| 10 mM | 0.6659 mL | 3.3293 mL | 6.6587 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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