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| Other Sizes |
| Targets |
The primary targets of 3,4-Dimethoxychalcone include various enzymes and signaling pathways. It has been shown to inhibit enzymes such as COX-1 and COX-2, thereby exhibiting anti-inflammatory effects. The compound also modulates the NF-κB and MAPK pathways, reducing the production of pro-inflammatory cytokines. In cancer cells, it induces apoptosis and inhibits cell proliferation through modulation of cell cycle regulators and activation of caspases.
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| ln Vitro |
In HepG2 and U2OS cells, 3,4-Dimethoxychalcone (30 μM, 8 hours) boosts autophagic flux [1]. In U2OS cells, 3,4-Dimethoxychalcone (30 μM, 6 hours) drives TFEB and TFE3 translocation into the nucleus [1].
In vitro, 3,4-Dimethoxychalcone demonstrates significant antioxidant activity in DPPH and ABTS assays. It shows anti-inflammatory effects by reducing NO, PGE2, and TNF-α production in LPS-stimulated macrophages. The compound inhibits the growth of various cancer cell lines, including breast, colon, and lung cancer cells, with IC50 values typically in the range of 5-50 µM. It also exhibits antimicrobial activity against certain bacteria and fungi. |
| ln Vivo |
In the liver and heart tissue of female C57/BL6 mice, 3,4-Dimethoxychalcone (230 mg/kg administered intraperitoneally) causes nuclear translocation of TFEB and TFE 3 [1].
In vivo activity of 3,4-Dimethoxychalcone has been reported in some studies, showing anti-inflammatory effects in carrageenan-induced paw edema models and antitumor activity in xenograft models. However, comprehensive pharmacokinetic and pharmacodynamic data are limited. The compound is primarily studied in vitro, and further in vivo investigations are needed. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3,4-Dimethoxychalcone typically involve COX-1/2 inhibition assays, antioxidant assays (DPPH, ABTS), and kinase inhibition studies. The compound is tested at concentrations ranging from 0.1 to 100 µM. IC50 values are calculated from dose-response curves.
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| Cell Assay |
In vitro cellular assays for 3,4-Dimethoxychalcone involve testing its effects on cell viability, apoptosis, and inflammatory markers. Cancer cell lines are treated with serial dilutions of the compound, and cell viability is assessed using MTT or SRB assays. Apoptosis is evaluated by Annexin V/PI staining and caspase activity. Inflammatory markers are measured in macrophage cultures using ELISA. The compound shows concentration-dependent activities.
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| Animal Protocol |
In vivo animal studies for 3,4-Dimethoxychalcone are limited. For anti-inflammatory testing, carrageenan-induced paw edema in rats is used, with oral administration of the compound at doses of 10-100 mg/kg. For antitumor testing, xenograft models in mice are used, with daily treatment and monitoring of tumor volume. Detailed protocols are not widely reported.
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| ADME/Pharmacokinetics |
3,4-Dimethoxychalcone has a molecular formula of C17H16O3 and a molecular weight of 268.31. It appears as a solid powder with a purity of ≥98%. It is soluble in DMSO and ethanol, but poorly soluble in water. The compound should be stored at -20°C, protected from light, and is stable for up to 2 years under dry conditions. It is intended for research use only and is not for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3,4-Dimethoxychalcone has not been extensively characterized. As a chalcone, it is generally considered to have moderate toxicity. Standard toxicity studies would include acute oral toxicity, repeated-dose toxicity, and genotoxicity in animal models. The compound is intended for research use only and is not approved for clinical use.
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| References |
[1]. Okolo EN, et al. New chalcone derivatives as potential antimicrobial and antioxidant agent. Sci Rep. 2021 Nov 5;11(1):21781.
[2]. Chen G, et al. 3,4-Dimethoxychalcone induces autophagy through activation of the transcription factors TFE3 and TFEB. EMBO Mol Med. 2019 Nov 7;11(11):e10469. |
| Additional Infomation |
Caloric limitation mimic (CRM) compounds can induce autophagy in human cell lines.
3,4-Dimethoxychalcone (CAS 5416-71-7) is a chalcone derivative with methoxy groups at positions 3 and 4. It has a molecular formula of C17H16O3 and a molecular weight of 268.31. The compound exhibits antioxidant, anti-inflammatory, anticancer, and antimicrobial activities. It inhibits COX enzymes, reduces pro-inflammatory mediators, induces apoptosis in cancer cells, and shows antimicrobial effects. It is intended for research use only and is not approved for clinical use. |
| Molecular Formula |
C17H16O3
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|---|---|
| Molecular Weight |
268.30714
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| Exact Mass |
268.11
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| CAS # |
5416-71-7
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| Related CAS # |
(E)-3,4-Dimethoxychalcone;53744-27-7
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| PubChem CID |
5354494
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.128g/cm3
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| Boiling Point |
421.8ºC at 760mmHg
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| Melting Point |
88ºC
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| Flash Point |
200.7ºC
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| LogP |
3.599
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
20
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| Complexity |
331
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)OC
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| InChi Key |
LSHZPTCZLWATBZ-CSKARUKUSA-N
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| InChi Code |
InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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| Chemical Name |
(E)-3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (372.70 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.32 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 (9.32 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 | 3.7270 mL | 18.6352 mL | 37.2703 mL | |
| 5 mM | 0.7454 mL | 3.7270 mL | 7.4541 mL | |
| 10 mM | 0.3727 mL | 1.8635 mL | 3.7270 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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