| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
HIV
The primary targets of 2-Hydroxyacetophenone include HIV and SARS-CoV S pseudovirus. The compound shows inhibitory effects on infection of HIV/SARS-CoV S pseudovirus with an IC₅₀ of 1.8 mM. It is a principal root volatile of Carissa edulis and has been characterized for its antiviral activity. The compound does not have a defined receptor target but exerts its effects through direct antiviral mechanisms. |
|---|---|
| ln Vitro |
In vitro, 2-Hydroxyacetophenone demonstrates inhibitory effects on HIV/SARS-CoV S pseudovirus infection with an IC₅₀ of 1.8 mM. The compound is a principal root volatile of Carissa edulis and has been characterized for its antiviral activity. The inhibitory activity is concentration-dependent and has been demonstrated in pseudovirus infection assays. The compound's antiviral mechanism is not fully elucidated.
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| ln Vivo |
In vivo activity of 2-Hydroxyacetophenone has not been extensively characterized. As a natural product with antiviral effects, it has potential for protecting against viral infections. However, detailed in vivo pharmacokinetic and pharmacodynamic studies are limited. The compound is primarily studied for its antiviral properties in vitro.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 2-Hydroxyacetophenone typically involve antiviral activity testing. Pseudovirus infection assays are used to assess the compound's inhibitory effects on HIV/SARS-CoV S pseudovirus. Cells are infected with pseudovirus in the presence of varying concentrations of 2-Hydroxyacetophenone (0.1-10 mM). Viral entry or replication is measured by reporter gene expression, and the IC₅₀ value is calculated from the dose-response curve.
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| Cell Assay |
In vitro cellular assays for 2-Hydroxyacetophenone involve testing its antiviral activity in cell models. Cells (e.g., HEK293T, Vero cells) are infected with HIV/SARS-CoV S pseudovirus in the presence of varying concentrations of 2-Hydroxyacetophenone (0.1-10 mM). Viral infection is measured by reporter gene expression or qRT-PCR after 24-48 hours. Cell viability is assessed using MTT or CCK-8 assays to rule out cytotoxicity. The compound demonstrates concentration-dependent antiviral activity.
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| Animal Protocol |
In vivo animal studies for 2-Hydroxyacetophenone are limited, as the compound is primarily studied in vitro. For antiviral efficacy testing, animal models of viral infection could be used. Animals would be treated with 2-Hydroxyacetophenone via oral or intraperitoneal administration, and viral loads 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 2-Hydroxyacetophenone include a molecular weight of 136.15 and a molecular formula of C₈H₈O₂. The compound appears as an off-white to light yellow 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 2-Hydroxyacetophenone 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 |
2-Hydroxyacetophenone is a monohydroxyacetophenone, meaning it is a compound in which one methyl hydrogen atom in the acetophenone molecule is replaced by a hydroxyl group. It is a primary alcohol, a primary α-hydroxy ketone, and a monohydroxyacetophenone. It has been reported to have been found in Carissa spinarum, Scutellaria baicalensis, and Carissa edulis, and relevant data are available for reference.
2-Hydroxyacetophenone (CAS 582-24-1) has a molecular formula of C₈H₈O₂ and a molecular weight of 136.15. It is a principal root volatile of Carissa edulis and shows inhibitory effects on HIV/SARS-CoV S pseudovirus infection with an IC₅₀ of 1.8 mM. The compound appears as an off-white to light yellow solid powder with a purity of ≥98%. It is intended for research use only and is not approved for clinical use. |
| Molecular Formula |
C8H8O2
|
|---|---|
| Molecular Weight |
136.15
|
| Exact Mass |
136.052
|
| CAS # |
582-24-1
|
| PubChem CID |
68490
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
244.6±13.0 °C at 760 mmHg
|
| Melting Point |
86-89 °C(lit.)
|
| Flash Point |
100.4±12.4 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.551
|
| LogP |
0.44
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ZWVHTXAYIKBMEE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
|
| Chemical Name |
2-hydroxy-1-phenylethanone
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 12.5 mg/mL (91.81 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 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 (18.36 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 (18.36 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 | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 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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