| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| Other Sizes |
| Targets |
The primary reported target of 3′,4′,5′,5,6,7-Hexamethoxyflavone is the protozoan parasite Trypanosoma brucei rhodesiense, the causative agent of human African trypanosomiasis. The compound exhibits inhibitory activity against this parasite. Based on its flavonoid structure, it may also interact with various cellular enzymes and signaling pathways, though specific molecular targets have not been fully elucidated. Further research is needed to identify its precise binding partners and mechanism of action at the molecular level.
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|---|---|
| ln Vitro |
In vitro studies have demonstrated that 3′,4′,5′,5,6,7-Hexamethoxyflavone inhibits Trypanosoma brucei rhodesiense with an IC50 value of 21.3 μM (equivalent to 8.58 μg/mL). This activity indicates moderate antiprotozoal potency. The compound's activity against other protozoan parasites such as Leishmania has not been extensively reported. The in vitro efficacy suggests that the flavonoid scaffold may serve as a lead for the development of new antiprotozoal agents, though further optimization may be required to improve potency and selectivity.
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| ln Vivo |
In vivo activity data for 3′,4′,5′,5,6,7-Hexamethoxyflavone are currently limited in the published literature. Most studies have focused on in vitro characterization of its antiprotozoal effects. Animal model studies evaluating its efficacy, pharmacokinetics, and toxicity in vivo have not been extensively reported. Further preclinical investigations are necessary to determine whether the in vitro activity translates to in vivo efficacy and to assess the compound's therapeutic potential for the treatment of parasitic infections.
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| Enzyme Assay |
For the evaluation of antiprotozoal activity, standard in vitro enzyme or receptor binding assays are employed. Typically, the compound is tested against cultured parasites in 96-well microtiter plates. Parasites such as Trypanosoma brucei rhodesiense are incubated with serial dilutions of the test compound for 48-72 hours. Resazurin or Alamar Blue is added to measure cell viability fluorometrically. IC50 values are calculated from dose-response curves. Positive controls such as suramin or pentamidine are included for assay validation.
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| Cell Assay |
For in vitro cell-based activity assessment, cultured parasite strains are maintained in appropriate growth media. For Trypanosoma brucei rhodesiense, the parasites are cultured in HMI-9 medium supplemented with 10% fetal bovine serum. Cells are seeded in 96-well plates at a density of approximately 2×10⁴ cells per well. Test compound is added at various concentrations. After 48-72 hours of incubation at 37°C in 5% CO₂, cell viability is assessed using a fluorometric resazurin reduction assay. Fluorescence is measured at 544 nm excitation and 590 nm emission.
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| Animal Protocol |
In vivo animal model studies for this compound have not been extensively documented. For similar antiprotozoal flavonoids, typical protocols involve using mouse models of infection. Mice are infected with Trypanosoma brucei and treated with the test compound via oral or intraperitoneal administration. Parasitemia is monitored daily by microscopic examination of tail blood. Survival time and reduction in parasitemia are used as efficacy endpoints. Standard protocols for such studies are outlined in published literature on antiprotozoal drug development.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3′,4′,5′,5,6,7-Hexamethoxyflavone have not been comprehensively characterized. As a polymethoxylated flavonoid, it is expected to have moderate oral bioavailability and lipophilic characteristics. Flavonoids generally undergo extensive phase I and phase II metabolism. The compound's molecular weight (approximately 402.4 g/mol) and LogP suggest it may have favorable membrane permeability. However, specific PK parameters such as half-life, clearance, volume of distribution, and protein binding have not been reported and require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for 3′,4′,5′,5,6,7-Hexamethoxyflavone are limited in the available literature. Standard safety assessments including acute toxicity, genotoxicity, and repeated-dose toxicity studies have not been published. As a naturally occurring flavonoid, it is generally considered to have a favorable safety profile, but systematic toxicological evaluation is needed. Cytotoxicity against mammalian cell lines has not been extensively reported. Further studies are required to establish the therapeutic window and safety margins for this compound.
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| References | |
| Additional Infomation |
It has been reported that 5,6,7,3',4',5'-hexamethoxyflavones are found in citrus fruits, Blumea festoloza, and other organisms for which data is available.
This compound is primarily used as a research tool for studying antiprotozoal activity and flavonoid pharmacology. It is available as an analytical reference standard for qualitative and quantitative determination. No clinical trials or regulatory approvals have been reported for this compound. It remains an investigational compound for preclinical research purposes. Future studies may explore its activity against other parasitic diseases and its potential as a lead compound for medicinal chemistry optimization. |
| Molecular Formula |
C21H22O8
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|---|---|
| Molecular Weight |
402.39458
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| Exact Mass |
402.131
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| CAS # |
29043-07-0
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| PubChem CID |
185670
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.244g/cm3
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| Boiling Point |
572.8ºC at 760 mmHg
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| Melting Point |
115ºC
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| Flash Point |
249.9ºC
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| Vapour Pressure |
3.95E-13mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
3.511
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
579
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=C(OC)C(OC)=CC(C2=CC(=O)C3C(=CC(OC)=C(OC)C=3OC)O2)=C1
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| InChi Key |
DYDFNKUHYXHWFM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3
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| Chemical Name |
5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-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 |
| 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 Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4852 mL | 12.4258 mL | 24.8515 mL | |
| 5 mM | 0.4970 mL | 2.4852 mL | 4.9703 mL | |
| 10 mM | 0.2485 mL | 1.2426 mL | 2.4852 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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