| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
No specific molecular target has been definitively identified.
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|---|---|
| ln Vitro |
Demethoxyencecalin exhibits antifungal activities. It also demonstrates antioxidant and anti-inflammatory properties in various in vitro assays.
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| ln Vivo |
Specific in vivo activity data is not detailed in the provided references. However, its anti-inflammatory and antioxidant properties suggest potential for in vivo efficacy in models of neurodegenerative or inflammatory diseases.
|
| Enzyme Assay |
In vitro assays for antifungal activity typically involve broth microdilution methods to determine the minimum inhibitory concentration (MIC) against fungal strains. Antioxidant activity is assessed using assays such as DPPH radical scavenging. Anti-inflammatory activity is measured by its ability to inhibit the production of pro-inflammatory mediators (e.g., NO, TNF-α) in activated macrophages.
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| Cell Assay |
For in vitro cellular assays, cell lines such as macrophages (e.g., RAW 264.7) or neuronal cell lines are used. Cells are treated with demethoxyencecalin, and parameters such as cell viability, oxidative stress markers, and inflammatory cytokine levels are measured.
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| Animal Protocol |
In vivo efficacy studies would typically be conducted in animal models of the disease of interest, such as models of neurodegeneration or inflammation. The compound would be administered via an appropriate route, and its effect on disease progression and biomarkers would be assessed.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data is not provided. As a lipophilic chromene, it is expected to have good cell permeability. It is soluble in organic solvents like DMSO, chloroform, and acetone.
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| Toxicity/Toxicokinetics |
Specific toxicological data is not provided. As a natural product, it may have a favorable safety profile, but this has not been established.
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| References | |
| Additional Infomation |
6-Acetyl-2,2-dimethyl-2H-1-benzopyran is a 1-benzopyran. 1-(2,2-Dimethylchromene-6-yl)acetone has been reported in sunflower (Helianthus hirsutus), five-veined sunflower (Helianthella quinquenervis), and other organisms with available data.
Demethoxyencecalin is a natural product with promising biological activities. It is not approved for clinical use. |
| Molecular Formula |
C13H14O2
|
|---|---|
| Molecular Weight |
202.24906
|
| Exact Mass |
202.099
|
| CAS # |
19013-07-1
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| PubChem CID |
177040
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| Appearance |
Yellow to brown liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
329.8±42.0 °C at 760 mmHg
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| Flash Point |
147.7±21.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.531
|
| LogP |
3.23
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
15
|
| Complexity |
291
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=O)C1=CC2=C(C=C1)OC(C)(C)C=C2
|
| InChi Key |
ZAJTXVHECZCXLH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
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| Chemical Name |
1-(2,2-dimethylchromen-6-yl)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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~494.44 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9444 mL | 24.7219 mL | 49.4438 mL | |
| 5 mM | 0.9889 mL | 4.9444 mL | 9.8888 mL | |
| 10 mM | 0.4944 mL | 2.4722 mL | 4.9444 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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