| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
7-Ethoxycoumarin is a substrate for cytochrome P450 enzymes, particularly CYP1A1, CYP1A2, CYP2B6, and CYP2E1. It is not a drug targeting a specific receptor but rather a probe substrate used to measure the activity of these drug-metabolizing enzymes. The compound is metabolized by O-deethylation to 7-hydroxycoumarin (umbelliferone), which is fluorescent.
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|---|---|
| ln Vitro |
In vitro, 7-Ethoxycoumarin is used as a probe substrate to study the functional activity of recombinant P450 enzymes, as well as in hepatocyte studies and liver perfusion techniques. The O-deethylation of 7-ethoxycoumarin to 7-hydroxycoumarin is a well-established assay for measuring CYP450 activity. The product, 7-hydroxycoumarin, is fluorescent and can be easily quantified.
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| ln Vivo |
There are no significant in vivo applications for 7-Ethoxycoumarin as a therapeutic agent. It is a research tool for in vitro metabolism studies.
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| Enzyme Assay |
The in vitro enzyme assay for 7-Ethoxycoumarin involves incubating the substrate with a source of cytochrome P450 enzymes (e.g., microsomes, recombinant enzymes, or hepatocytes) and NADPH. The O-deethylation reaction produces 7-hydroxycoumarin, which is fluorescent (excitation ~360 nm, emission ~460 nm). The increase in fluorescence is measured over time to determine enzyme activity. The compound has been used as an internal standard for in vitro S-warfarin 7-hydroxylation and HPLC analysis.
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| Cell Assay |
In vitro cell-based assays for 7-Ethoxycoumarin involve treating hepatocytes or other cells expressing CYP450 enzymes with the compound and measuring the formation of 7-hydroxycoumarin in the culture medium. This is used to assess the metabolic capacity of cells and the induction or inhibition of CYP450 activity by other compounds.
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| Animal Protocol |
There are no standard in vivo animal experimental protocols for 7-Ethoxycoumarin as it is a research reagent for in vitro assays. It is not administered to animals for therapeutic purposes.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known human metabolites of 7-ethoxycoumarin include 7-hydroxycoumarin and 2H-1-benzopyran-2-one, 7-ethoxy-4-hydroxy-. Pharmacokinetic properties of 7-Ethoxycoumarin are not characterized as it is not a drug. It is a research chemical. |
| Toxicity/Toxicokinetics |
No toxicity data for 7-Ethoxycoumarin are available. As a research chemical, it should be handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
7-Ethoxycoumarin is a type of coumarin compound, belonging to the umbelliferous ketone group, in which the 7-hydroxyl group is replaced by an ethoxy group. It is an aromatic ether and also a member of the coumarin group. Functionally, it is related to umbelliferous ketone compounds.
7-Ethoxycoumarin is a coumarin derivative used as a probe substrate for cytochrome P450 enzyme activity assays. It is O-deethylated to fluorescent 7-hydroxycoumarin. It is for research use only. Its CAS number is 31005-02-4. |
| Molecular Formula |
C11H10O3
|
|---|---|
| Molecular Weight |
190.1953
|
| Exact Mass |
190.062
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| CAS # |
31005-02-4
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| Related CAS # |
7-Ethoxycoumarin-d5;1189956-39-5
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| PubChem CID |
35703
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
345.0±37.0 °C at 760 mmHg
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| Melting Point |
88-90 °C(lit.)
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| Flash Point |
143.1±21.1 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.562
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| LogP |
2.31
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
247
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LIFAQMGORKPVDH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
|
| Chemical Name |
7-ethoxychromen-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~525.76 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.14 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 (13.14 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (13.14 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 | 5.2576 mL | 26.2881 mL | 52.5762 mL | |
| 5 mM | 1.0515 mL | 5.2576 mL | 10.5152 mL | |
| 10 mM | 0.5258 mL | 2.6288 mL | 5.2576 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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