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| Other Sizes |
| Targets |
The primary targets of 3,5-Dihydroxyacetophenone include pathways involved in plant germination and growth inhibition. The compound also exhibits antitumor activity. Derivatives have shown activity against hemoglobin S polymerization, suggesting potential for sickle cell disease treatment. As an endogenous metabolite, it may interact with various physiological pathways. These targets make it relevant for research in oncology, sickle cell disease, and plant biology.
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| ln Vitro |
In vitro, 3,5-Dihydroxyacetophenone demonstrates inhibitory activity towards plant germination and growth. It exhibits some antitumor activity in cancer cell-based assays. The compound is used as a drug intermediate in the synthesis of bioactive molecules such as dehydro-δ-viniferin. Derivatives have shown activity against hemoglobin S polymerization. These in vitro activities support its use in drug synthesis and biochemical research.
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| ln Vivo |
In vivo, 3,5-Dihydroxyacetophenone derivatives have shown promise in treating sickle cell disease by inhibiting hemoglobin S polymerization. The compound's antitumor activity observed in vitro suggests potential in vivo applications in cancer therapy. However, detailed in vivo efficacy data are limited. As a drug intermediate, it is used in the synthesis of compounds with potential therapeutic applications. Further studies are needed to fully characterize its therapeutic potential in animal models.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3,5-Dihydroxyacetophenone include studies on hemoglobin S polymerization inhibition. The compound or its derivatives are incubated with hemoglobin S at concentrations ranging from 0.1-1000 μM, and polymerization is measured spectrophotometrically. Antitumor activity is assessed using cancer cell lines with compound concentrations ranging from 0.1-100 μM for 24-72 hours, with cell viability measured by MTT assays. Plant germination inhibition is assessed using seed germination assays. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 3,5-Dihydroxyacetophenone are conducted using cancer cell lines for antitumor studies. Cells are treated with compound concentrations ranging from 0.1-100 μM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is evaluated by annexin V/PI staining. For sickle cell research, erythrocyte sickling assays are performed using hemoglobin S-containing red blood cells. Plant cell cultures may be used for growth inhibition studies. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with 3,5-Dihydroxyacetophenone are limited, as the compound is primarily used as a drug intermediate and research tool. Sickle cell disease studies may be conducted in animal models (e.g., sickle cell mice) using derivatives of the compound. The compound or its derivatives are administered via intraperitoneal or oral routes at doses ranging from 1-50 mg/kg. Efficacy is assessed by measuring hemoglobin S polymerization, hematological parameters, and organ pathology. Each group consists of 6-10 animals with vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,5-Dihydroxyacetophenone have not been extensively characterized. As a small, polar molecule (MW 152.15, C8H8O3), it is expected to have moderate oral bioavailability and reasonable tissue distribution. The compound is an endogenous metabolite and likely undergoes hepatic metabolism through conjugation pathways, with elimination via renal excretion. Detailed PK parameters such as half-life, Cmax, and AUC require further investigation in preclinical species.
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| Toxicity/Toxicokinetics |
Toxicological data for 3,5-Dihydroxyacetophenone indicate that it is generally well-tolerated at concentrations used for research. As an endogenous metabolite, it is expected to have a favorable safety profile. No significant toxicity has been reported at typical research doses. However, comprehensive toxicological studies have not been conducted. As with all research chemicals, appropriate safety precautions should be taken during handling, and the compound should be used only for research purposes.
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| Additional Infomation |
3',5'-Dihydroxyacetophenone is an aromatic ketone.
3,5-Dihydroxyacetophenone is an endogenous metabolite and drug intermediate used in biochemical experiments and drug synthesis research. It shows inhibitory activity towards plant germination and growth as well as antitumor activity. Derivatives have shown promise in treating sickle cell disease by inhibiting hemoglobin S polymerization. The compound is used in the synthesis of the active stilbene dimer dehydro-δ-viniferin. Not approved for clinical therapeutic use; intended for research purposes only. |
| Molecular Formula |
C₈H₈O₃
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|---|---|
| Molecular Weight |
152.15
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| Exact Mass |
152.047
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| CAS # |
51863-60-6
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| PubChem CID |
103993
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| Appearance |
Solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
316.8±12.0 °C at 760 mmHg
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| Melting Point |
145-146 °C(lit.)
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| Flash Point |
159.6±16.1 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.595
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| LogP |
1.13
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
145
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WQXWIKCZNIGMAP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
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| Chemical Name |
1-(3,5-dihydroxyphenyl)ethanone
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| Synonyms |
3,5Dihydroxyacetophenone; 3,5 Dihydroxyacetophenone
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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 : ~50 mg/mL (~328.62 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.43 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 (16.43 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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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