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| Targets |
Dimethylfraxetin targets carbonic anhydrase (CA I) as a nanomolar inhibitor with a Ki of 0.0097 μM. It also targets inflammatory pathways, exhibiting anti-inflammatory activity. The compound has bactericidal, anti-radiation damage, and immune-enhancing effects. Its coumarin scaffold provides antioxidant and anti-inflammatory effects while modulating related signaling pathways.
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| ln Vitro |
Dimethylfraxetin (chemical 17), a nanomolar inhibitor of CA I, is a molecule that sticks out among CA I. Of the six CA isozymes examined in this work, trimethoxycoumarin is the most potent NP coumarin [1].
In vitro, Dimethylfraxetin is a carbonic anhydrase inhibitor with a Ki value of 0.0097 μM. It has anti-inflammatory activity, reducing auricular edema induced by TPA. The compound has bactericidal, anti-radiation damage, and immune-enhancing effects. It exhibits antioxidant and anticancer activities. Dimethylfraxetin is used for screening structure-activity relationships of coumarin-based enzyme inhibitors. |
| ln Vivo |
In vivo, Dimethylfraxetin has anti-inflammatory activity. It reduces auricular edema induced by TPA. The compound has bactericidal, anti-radiation damage, and immune-enhancing effects. Its antioxidant and anticancer activities suggest potential therapeutic applications. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for Dimethylfraxetin involve measuring carbonic anhydrase inhibition. Carbonic anhydrase activity is assessed using esterase or hydration assays with suitable substrates. The compound's Ki of 0.0097 μM is determined through enzyme kinetic studies. Anti-inflammatory activity is assessed by measuring inhibition of edema or cytokine production. Antioxidant activity is assessed using DPPH or other free radical scavenging assays. Assays are performed in appropriate buffer systems with positive controls such as known carbonic anhydrase inhibitors.
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| Cell Assay |
In vitro cell-based assays for Dimethylfraxetin are conducted in various cell lines. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Carbonic anhydrase inhibition is assessed by measuring enzyme activity in cell lysates. Anti-inflammatory activity is assessed by measuring cytokine production. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
Dimethylfraxetin in vivo studies are conducted in animal models of inflammation. Animals are treated with Dimethylfraxetin via oral administration or injection. For anti-inflammatory studies, TPA-induced ear edema models are used. Edema reduction is measured. For immune-enhancing studies, immune parameters are assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biomarker analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
Dimethylfraxetin (MW 236.22 g/mol, C12H12O5) is a coumarin also known as 6,7,8-trimethoxycoumarin. It is a carbonic anhydrase inhibitor with a Ki of 0.0097 μM. The compound has anti-inflammatory, bactericidal, anti-radiation, and immune-enhancing effects. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies.
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| Toxicity/Toxicokinetics |
Dimethylfraxetin is generally well-tolerated in preclinical studies. The compound is a natural coumarin with established safety profiles. Its carbonic anhydrase inhibitory and anti-inflammatory activities have been demonstrated with acceptable safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
6,7,8-Trimethoxy-1-benzopyran-2-one is a coumarin compound. Dimethylfraxetine has been reported to exist in Garcinia cambogia, Aralia elata, and other organisms with relevant data.
Dimethylfraxetin (6,7,8-trimethoxycoumarin) is a coumarin from T. lucida with anti-inflammatory activity and is a carbonic anhydrase inhibitor with a Ki of 0.0097 μM. It has bactericidal, anti-radiation damage, and immune-enhancing effects. The compound exhibits antioxidant and anticancer activities. Its molecular formula is C12H12O5 with a molecular weight of 236.22 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C12H12O5
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|---|---|
| Molecular Weight |
236.2207
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| Exact Mass |
236.068
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| CAS # |
6035-49-0
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| PubChem CID |
3083928
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| Appearance |
White to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
408.0±45.0 °C at 760 mmHg
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| Melting Point |
104-105ºC
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| Flash Point |
184.3±28.8 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.545
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| LogP |
1.75
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
314
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RAYQKHLZHPFYEJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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| Chemical Name |
6,7,8-trimethoxychromen-2-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 Vitro) |
DMSO : ~125 mg/mL (~529.17 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.81 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 20.8 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: ≥ 2.08 mg/mL (8.81 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (8.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2333 mL | 21.1667 mL | 42.3334 mL | |
| 5 mM | 0.8467 mL | 4.2333 mL | 8.4667 mL | |
| 10 mM | 0.4233 mL | 2.1167 mL | 4.2333 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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