| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
3,4-Benzocoumarin does not have a specific well-defined biological target. As a coumarin derivative, it is known to exhibit various biological activities and unique photophysical properties. The compound is an AOH-like compound that has demonstrated antibody sensitivity. Its mechanism of action is believed to involve interactions with biological macromolecules, although the specific molecular targets have not been fully elucidated.
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|---|---|
| ln Vitro |
In vitro, 3,4-Benzocoumarin has demonstrated antibody sensitivity with an IC50 of 919.2 ng/mL. Coumarin derivatives, including 3,4-Benzocoumarin, possess a variety of biological activities and unique photophysical properties. The compound's in vitro activity makes it a subject of research for potential biological applications. Further studies are needed to fully characterize its in vitro activity profile against other targets.
|
| ln Vivo |
Detailed in vivo activity data for 3,4-Benzocoumarin are not extensively documented in publicly available literature. As a coumarin derivative, the compound is being investigated for its potential biological activities. Further in vivo studies are needed to assess its efficacy and safety in animal models. The compound is primarily used as a research tool for studying coumarin derivatives and their biological activities.
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| Enzyme Assay |
3,4-Benzocoumarin is not typically used in standard receptor binding assays. Its activity is assessed through antibody-based assays or cell-based assays measuring biological activities. In antibody sensitivity assays, the compound's ability to interact with specific antibodies is assessed. The compound is incubated with the antibody at varying concentrations, and binding is measured using methods such as ELISA. IC50 values are calculated from concentration-response curves.
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| Cell Assay |
Cellular assays for 3,4-Benzocoumarin are performed using various cell lines to assess its biological activities. Cells are cultured in appropriate media and treated with 3,4-Benzocoumarin at varying concentrations for defined time periods. Cell viability and proliferation are assessed using standard assays such as MTT or CellTiter-Glo. The compound's effects on specific biological pathways may be assessed by measuring relevant biomarkers. The compound is typically dissolved in DMSO and diluted in cell culture media for treatment.
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| Animal Protocol |
In vivo studies with 3,4-Benzocoumarin are not extensively documented in publicly available literature. As a research compound, it may be evaluated in animal models to assess its biological activities and pharmacokinetic properties. The compound would be administered via appropriate routes at defined doses, and efficacy would be assessed by measuring relevant endpoints. Further studies are needed to characterize its in vivo activity.
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| ADME/Pharmacokinetics |
3,4-Benzocoumarin has a molecular weight of 222.24 and a molecular formula of C13H8O3. The compound is an expanded structure of coumarin derivatives. It has a purity of ≥98%. Detailed pharmacokinetic data for 3,4-Benzocoumarin are not extensively documented in publicly available literature. The compound is soluble in DMSO. It should be stored at room temperature.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for 3,4-Benzocoumarin are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines.
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| References | |
| Additional Infomation |
6H-Dibenzo[b,d]pyran-6-one is a benzochrome ketone formed by the substitution of a carbonyl group at the 6-position of 6H-dibenzo[b,d]pyran. It is a plant metabolite. The presence of 6H-dibenzo[b,d]pyran-6-one in tomato (Solanum lycopersicum) has been reported, and relevant data are available for reference.
3,4-Benzocoumarin is an expanded structure of coumarin derivatives belonging to the benzopyrone chemical class. Coumarins possess a variety of biological activities and unique photophysical properties. 3,4-Benzocoumarin is an AOH-like compound that has demonstrated antibody sensitivity with an IC50 of 919.2 ng/mL. The compound is used as a research tool for studying coumarin derivatives and their biological activities. |
| Molecular Formula |
C13H8O2
|
|---|---|
| Molecular Weight |
196.2014
|
| Exact Mass |
196.052
|
| CAS # |
2005-10-9
|
| PubChem CID |
16173
|
| Appearance |
White to off-white solid powder
|
| Density |
1.277g/cm3
|
| Boiling Point |
354.7ºC at 760 mmHg
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| Flash Point |
148ºC
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| Vapour Pressure |
3.3E-05mmHg at 25°C
|
| Index of Refraction |
1.642
|
| LogP |
2.946
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
15
|
| Complexity |
261
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12)=O
|
| InChi Key |
TVKNXKLYVUVOCV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
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| Chemical Name |
benzo[c]chromen-6-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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~509.68 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 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 (12.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0968 mL | 25.4842 mL | 50.9684 mL | |
| 5 mM | 1.0194 mL | 5.0968 mL | 10.1937 mL | |
| 10 mM | 0.5097 mL | 2.5484 mL | 5.0968 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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