| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
3-Methylbenzofuran exhibits antimicrobial activity with primary targets being bacterial cells, particularly strains of E. coli, S. aureus, Methicillin-resistant Staphylococcus aureus (MRSA), B. subtilis, and P. aeruginosa. The compound also inhibits the activity of vascular endothelial growth factor receptor 2 (VEGFR-2), which plays a crucial role in angiogenesis. Additionally, it interacts with cytochrome P450 enzymes, which are involved in xenobiotic metabolism, leading to oxidation and formation of epoxides that can react with biomolecules.
|
|---|---|
| ln Vitro |
In vitro, 3-Methylbenzofuran derivatives have demonstrated significant anticancer activity in non-small cell lung cancer cells by inhibiting cell growth and inducing apoptosis. The compound affects the RAS/RAF/MEK/ERK signaling pathway, which is crucial for cell proliferation and survival. It has also been shown to exhibit antimicrobial activity against multiple bacterial strains including E. coli, S. aureus, MRSA, B. subtilis, and P. aeruginosa. The compound inhibits VEGFR-2, leading to reduced cell proliferation and increased apoptosis in certain cancer cell lines.
|
| ln Vivo |
In plant systems, 3-Methylbenzofuran has been shown to be a potent elicitor for the production of abscisic acid, a plant hormone involved in stomatal closure, when applied in culture. No direct in vivo activity studies in animal models have been reported for 3-Methylbenzofuran itself. The compound is primarily used as a synthetic building block and research chemical rather than a therapeutic agent. Its derivatives may have potential for further pharmacological evaluation.
|
| Enzyme Assay |
No specific enzyme/receptor binding protocols have been established for 3-Methylbenzofuran as a direct ligand. For antimicrobial testing, standard protocols involve broth microdilution assays where bacterial cultures (E. coli, S. aureus, MRSA, B. subtilis, P. aeruginosa) are incubated with serial dilutions of 3-methylbenzofuran, and MIC values are determined after 24 hours. For VEGFR-2 inhibition studies, standard kinase activity assays using recombinant VEGFR-2 enzyme and ATP with a peptide substrate, measuring phosphorylation via luminescence or ELISA, can be used. Cytochrome P450 interaction can be assessed using microsomal oxidation assays with NADPH.
|
| Cell Assay |
For cellular evaluation of 3-methylbenzofuran derivatives, standard protocols involve culturing cancer cell lines (e.g., non-small cell lung cancer cells A549, NCI-H460) in DMEM or RPMI-1640 with 10% FBS at 37degC in 5% CO2. Cells are seeded in 96-well plates (5,000 cells/well) and treated with varying concentrations of test compounds (0.1-100 microM) for 48-72 hours. Cell viability is assessed by MTT or CCK-8 assays. Apoptosis is evaluated by flow cytometry using Annexin V-FITC/PI staining. VEGFR-2 phosphorylation and signaling pathway components are analyzed by western blotting of cell lysates. All experiments are performed in triplicate.
|
| Animal Protocol |
No specific in vivo animal protocols have been established for 3-Methylbenzofuran as it is primarily a chemical building block rather than a therapeutic agent. Standard toxicity testing in rodents using oral administration (100-1000 mg/kg) with observation of clinical signs, body weight, hematology, and serum biochemistry over 13 weeks could be performed, but such protocols are not reported in the literature for this compound. For its derivatives, standard xenograft models in nude mice with subcutaneous cancer cell injection could be used for efficacy evaluation.
|
| ADME/Pharmacokinetics |
No pharmacokinetic studies have been published for 3-Methylbenzofuran. Computed properties include molecular formula C9H8O, molecular weight 132.16 g/mol, predicted logP of approximately 2.5-3.0, suggesting moderate lipophilicity. The compound has a boiling point of approximately 70-72degC at reduced pressure. As a small lipophilic heterocycle, it is expected to be readily absorbed if administered orally, but no PK parameters have been reported. It is primarily used as a synthetic intermediate rather than a drug candidate.
|
| Toxicity/Toxicokinetics |
Safety data for 3-Methylbenzofuran indicates it should be handled with standard laboratory precautions. Administration of the related compound 2,3-dimethylbenzofuran for 13 weeks showed no effect on hematology tests, but serum biochemistry revealed a slight increase in ALP activity in males and a slight increase in bilirubin levels in males and females. 3-Methylbenzofuran may be metabolized by cytochrome P450 to reactive epoxides, which could cause toxicity. Wear protective gloves, safety goggles, and a lab coat. Work in a well-ventilated fume hood. Avoid inhalation, ingestion, and contact with skin and eyes. For research use only.
|
| References | |
| Additional Infomation |
3-Methylbenzofuran is a condensed heterocyclic compound widely used in biochemical experiments and drug synthesis research. It serves as a building block in the synthesis of pharmaceuticals targeting neurological disorders due to its ability to interact with specific receptors in the brain. The compound is also used in enantioselective preparation of benzoheterocycles via iridium-catalyzed hydrogenation of indole and benzofuran derivatives. In plant biology, it acts as an elicitor for abscisic acid production. No clinical trial data is available, and the compound is not approved for human therapy.
|
| Molecular Formula |
C9H8O
|
|---|---|
| Molecular Weight |
132.16
|
| Exact Mass |
132.058
|
| CAS # |
21535-97-7
|
| PubChem CID |
88939
|
| Appearance |
Colorless to light yellow liquid
|
| Hydrogen Bond Donor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
122
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=COC2=CC=CC=C12
|
| InChi Key |
ZRXHLJNBNWVNIM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
|
| Chemical Name |
3-methyl-1-benzofuran
|
| HS Tariff Code |
2934.99.9001
|
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.5666 mL | 37.8329 mL | 75.6659 mL | |
| 5 mM | 1.5133 mL | 7.5666 mL | 15.1332 mL | |
| 10 mM | 0.7567 mL | 3.7833 mL | 7.5666 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
