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| Other Sizes |
| Targets |
The primary targets of 4'-Hydroxy-3'-methylacetophenone are reactive oxygen species (ROS) and oxidative stress pathways. As a phenolic compound with potent antioxidant effects, it scavenges free radicals and protects cells from oxidative damage. The compound does not have a defined receptor target but exerts its effects through direct antioxidant mechanisms. It is a natural product extracted from coffee beans.
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| ln Vitro |
In vitro, 4'-Hydroxy-3'-methylacetophenone demonstrates potent antioxidant activity. As a phenolic volatile compound, it scavenges free radicals and protects cells from oxidative damage. The compound is extracted from Hawaiian green coffee beans (Coffea Arabica L.) and has been characterized for its antioxidant properties. The antioxidant activity is concentration-dependent and has been demonstrated in various in vitro assays.
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| ln Vivo |
In vivo activity of 4'-Hydroxy-3'-methylacetophenone has not been extensively characterized. As a natural product with antioxidant effects, it has potential for protecting against oxidative stress-related diseases. However, detailed in vivo pharmacokinetic and pharmacodynamic studies are limited. The compound is primarily studied for its antioxidant properties in vitro.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 4'-Hydroxy-3'-methylacetophenone typically involve antioxidant activity testing. The compound's ability to scavenge free radicals is assessed using DPPH (2,2-diphenyl-1-picrylhydrazyl) or ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) assays. The compound is incubated with the radical solution at varying concentrations (0.1-1000 µg/mL), and the scavenging activity is measured spectrophotometrically. The IC₅₀ value is calculated from the dose-response curve.
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| Cell Assay |
In vitro cellular assays for 4'-Hydroxy-3'-methylacetophenone involve testing its antioxidant effects in cell models. Cells (e.g., fibroblasts, endothelial cells) are treated with oxidative stress inducers (e.g., H₂O₂) in the presence of varying concentrations of the compound (0.1-100 µM). Cellular ROS levels are measured using fluorescent probes such as DCFH-DA. Cell viability is assessed using MTT or CCK-8 assays. The compound demonstrates concentration-dependent antioxidant activity.
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| Animal Protocol |
In vivo animal studies for 4'-Hydroxy-3'-methylacetophenone are limited, as the compound is primarily studied in vitro. For antioxidant efficacy testing, animal models of oxidative stress (e.g., D-galactose-induced aging models) could be used. Animals would be treated with the compound via oral administration, and oxidative stress markers in tissues would be assessed. However, detailed in vivo protocols are not well established in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 4'-Hydroxy-3'-methylacetophenone include a molecular weight of 150.17 and a molecular formula of C₉H₁₀O₂. The compound appears as an off-white to light brown solid powder with a purity of ≥98%. It is intended for research use only and has not been approved for clinical use. Detailed pharmacokinetic parameters such as half-life, oral bioavailability, and tissue distribution are not well characterized in the available literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4'-Hydroxy-3'-methylacetophenone has not been extensively characterized. As a natural product, it is generally considered to have low toxicity. Standard toxicity studies would include assessment of acute oral toxicity, dermal irritation, and repeated-dose toxicity in animal models. The compound is intended for research use only and is not approved for clinical use.
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| References | |
| Additional Infomation |
4-Hydroxy-3-methylacetophenone is a monohydroxyacetophenone with the structure acetophenone, featuring a methyl group at the 3-position and a hydroxyl group at the 4-position. It is a volatile oil component and an insect attractant. It belongs to the monohydroxyacetophenone, phenolic, and hydroxytoluene classes of compounds, and is functionally related to acetophenone. It has been reported that 4'-hydroxy-3'-methylacetophenone is found in Rehmannia glutinosa and Apium graveolens, and relevant data are available for reference.
4'-Hydroxy-3'-methylacetophenone (CAS 876-02-8) has a molecular formula of C₉H₁₀O₂ and a molecular weight of 150.17. It is a phenolic volatile compound extracted from Hawaiian green coffee beans with potent antioxidant effects. The compound appears as an off-white to light brown solid powder with a purity of ≥98%. It is intended for research use only and is not approved for clinical use. |
| Molecular Formula |
C9H10O2
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|---|---|
| Molecular Weight |
150.17
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| Exact Mass |
150.068
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| CAS # |
876-02-8
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| PubChem CID |
70135
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
301.6±22.0 °C at 760 mmHg
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| Melting Point |
107-109 °C(lit.)
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| Flash Point |
127.3±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 |
LXBHHIZIQVZGFN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
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| Chemical Name |
1-(4-hydroxy-3-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 : 100 mg/mL (665.91 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 (16.65 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 (16.65 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 | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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