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| Other Sizes |
| Targets |
Tropone exhibits antiviral and antifungal activities. Tropolone derivatives have been shown to inhibit the replication of hepatitis B virus (HBV) at the submicromolar level. The compound also inhibits cell proliferation in cancer cell lines. Tropone is a derivative of a tropane-type compound and can be used as a drug intermediate.
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| ln Vitro |
In vitro, tropone has demonstrated antibacterial, antifungal, and antitumor activities. It inhibits cell proliferation in cancer cell lines. As a non-benzene aromatic compound, it is used in drug design and organic synthesis. Tropone's derivatives have shown potent antiviral activity against HBV. The compound is also a precursor to various biologically active tropane-type natural products.
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| ln Vivo |
Tropone is not a pharmacologically approved drug. It is a natural product and research compound used to study its biological activities and as a drug intermediate. Its in vivo activity is primarily studied in the context of its derivatives, such as tropolone, which have shown antiviral efficacy.
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| Enzyme Assay |
Tropone's biological activity is assessed in vitro using antiviral and anticancer assays. A standard protocol for antiviral activity involves infecting cells with HBV and treating them with varying concentrations of tropone or its derivatives (typically 0.1-100 µM). Viral replication is measured by quantifying viral DNA or antigen production. For anticancer assays, cancer cell lines are treated with the compound, and cell viability is assessed using MTT assays.
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| Cell Assay |
In vitro cell culture experiments with tropone typically involve cancer cell lines to assess its antiproliferative effects, or viral infection models to evaluate its antiviral activity. Cells are cultured in appropriate media and treated with the compound at concentrations ranging from 0.1-100 µM for 24-72 hours. Cell viability and viral replication are measured using standard assays.
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| Animal Protocol |
In vivo animal studies with tropone are not well documented, as it is primarily a research compound and precursor. Studies on its derivatives, such as tropolone, have been conducted in animal models of viral infection. However, such studies are not standard for tropone itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of tropone are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 106.12, soluble in DMSO at 80 mg/mL), the compound would be expected to have moderate bioavailability. However, it is not intended for human exposure.
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| Toxicity/Toxicokinetics |
Tropone may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored at -20°C for long-term storage.
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| References | |
| Additional Infomation |
Reports indicate that alfalfa contains tropinone, and relevant data is available for reference.
Tropone is a non-benzene aromatic organic compound with antiviral and antifungal properties. It is a natural product and a precursor to various tropane-type natural products. Tropone and its derivatives are used in drug design and organic synthesis. It has not undergone clinical trials and is not approved as a pharmaceutical. |
| Molecular Formula |
C7H6O
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|---|---|
| Molecular Weight |
106.12
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| Exact Mass |
106.042
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| CAS # |
539-80-0
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| PubChem CID |
10881
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| Appearance |
Light yellow to brown liquid
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| Density |
1.094
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| Boiling Point |
113ºC (15 torr)
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| Melting Point |
-7ºC
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| Flash Point |
85.6ºC
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| Index of Refraction |
n20/D 1.615(lit.)
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| LogP |
1.046
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C=CC=CC=C1
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| InChi Key |
QVWDCTQRORVHHT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
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| Chemical Name |
cyclohepta-2,4,6-trien-1-one
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| Synonyms |
Tropone
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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 (942.33 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (23.56 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 (23.56 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 | 9.4233 mL | 47.1165 mL | 94.2329 mL | |
| 5 mM | 1.8847 mL | 9.4233 mL | 18.8466 mL | |
| 10 mM | 0.9423 mL | 4.7116 mL | 9.4233 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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