| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3'-Hydroxyacetophenone does not have a well-defined primary pharmacological target. It has been studied for antimicrobial and antioxidant activities. As an aromatic ketone with a hydroxyl group, it may interact with various biological targets through hydrogen bonding and hydrophobic interactions. Its biological activities are primarily studied in the context of natural product chemistry and chemical synthesis.
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|---|---|
| ln Vitro |
In vitro, 3'-hydroxyacetophenone has been studied for antimicrobial and antioxidant activities. It may exhibit free radical scavenging properties due to the phenolic hydroxyl group. Its in vitro activity against various microorganisms has been reported. Detailed in vitro data are limited.
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| ln Vivo |
In vivo data for 3'-hydroxyacetophenone are limited. The compound is primarily used as a chemical intermediate. Its in vivo effects have not been systematically studied. It is not used as a therapeutic agent.
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| Enzyme Assay |
General protocols for antioxidant activity assays use DPPH (2,2-diphenyl-1-picrylhydrazyl) or ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) radical scavenging assays. 3'-Hydroxyacetophenone is tested at various concentrations (1-1000 µM). The percentage of radical scavenging is calculated. The IC50 is determined from dose-response curves. Ascorbic acid or Trolox serves as positive controls.
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| Cell Assay |
General protocols for antimicrobial activity assays use broth microdilution or agar diffusion methods. Bacterial and fungal strains are cultured overnight. Cultures are diluted and inoculated into 96-well plates containing serial dilutions of 3'-hydroxyacetophenone (1-1000 µg/mL). After incubation at appropriate temperatures for 16-48 hours, the MIC is determined. Positive controls (standard antibiotics or antifungals) and negative controls (solvent only) are included.
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| Animal Protocol |
3'-Hydroxyacetophenone is a chemical intermediate. Its in vivo effects are not relevant as it is not used therapeutically. It is used in chemical synthesis and research applications.
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| ADME/Pharmacokinetics |
3'-Hydroxyacetophenone has a molecular weight of 136.15 g/mol (C8H8O2). It is an aromatic ketone with a hydroxyl group. It is slightly soluble in water and soluble in organic solvents. It is a research chemical and is not a pharmaceutical drug.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3'-hydroxyacetophenone has not been fully characterized. As a chemical reagent, it may cause skin and eye irritation upon contact. Inhalation of dust should be avoided. The compound should be used in a well-ventilated fume hood with appropriate personal protective equipment. Comprehensive toxicological studies are limited.
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| References |
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| Additional Infomation |
According to reports, 3'-hydroxyacetophenone has been found in Hedyotis diffusa, Dianthus chinensis, and other organisms with available data.
3'-Hydroxyacetophenone (CAS 121-71-1) is an aromatic ketone used as a chemical intermediate in pharmaceutical synthesis. It has been studied for antimicrobial and antioxidant properties. It has no approved therapeutic indications and is not a pharmaceutical drug. It is used primarily as a research chemical and synthetic intermediate. |
| Molecular Formula |
C8H8O2
|
|---|---|
| Molecular Weight |
136.15
|
| Exact Mass |
136.052
|
| CAS # |
121-71-1
|
| PubChem CID |
8487
|
| Appearance |
Off-white to light yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
277.0±23.0 °C at 760 mmHg
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| Melting Point |
90-95 °C(lit.)
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| Flash Point |
115.8±15.2 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.552
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| LogP |
1.39
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
131
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C1=C([H])C([H])=C([H])C(C(C([H])([H])[H])=O)=C1[H]
|
| InChi Key |
LUJMEECXHPYQOF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
|
| Chemical Name |
3'-Hydroxyacetophenone
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| Synonyms |
3'-Hydroxyacetophenone NSC-2440 NSC2440NSC 2440
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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 (~734.48 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT06146712 | COMPLETED | Other: Asutra's 'Dream the night away' nighttime lotion | Sleep | Asutra | 2023-08-07 | Not Applicable |
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