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7-ethoxy-4-Methylcoumarin | CAS 87-05-8
| Catalog Number | A16-0023 |
| Category | Nuclear Fluorescent Probes |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
7-ethoxy-4-Methylcoumarin is a fluorophore used to monitor functional activity of cytochrome P450 (CYP)1A1, CYP2B4, and CYP2B6.
Chemical Information
Product Specification
Application
Computed Properties
Literatures
Patents
| Synonyms | 4-Methyl-7-Ethoxycoumarin; 4-Methylumbelliferone ethyl ether; 7-ethoxy-4-methyl-2H-1-benzopyran-2-one |
| Purity | ≥98% |
| IUPAC Name | 7-ethoxy-4-methylchromen-2-one |
| Canonical SMILES | CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChI | InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3 |
| InChIKey | NKRISXMDKXBVRJ-UHFFFAOYSA-N |
| Solubility | 235.2 mg/L @ 25 °C (est) |
| Appearance | Solid Powder |
| LogP | 2.973 (est) |
| Excitation | 318 nm (in methanol), 360 nm (in dealkylase) |
| Emission | 377 nm (in methanol), 449 nm (in dealkylase) |
| Storage | Store at -20°C |
| GHSHazardStatements | Not Classified Reported as not meeting GHS hazard criteria by 91 of 91 companies. For more detailed information, please visit ECHA C&L website. |
7-Ethoxy-4-methylcoumarin (7-EMC) is a fluorescent compound utilized primarily as a substrate in various enzymatic assays. Here are four key applications of 7-ethoxy-4-methylcoumarin:
Cytochrome P450 Activity Assays: Widely employed in assessing cytochrome P450 enzyme activity, 7-EMC plays a pivotal role in drug metabolism. Upon interaction with these enzymes, 7-EMC undergoes conversion to a fluorescent product, enabling the measurement of enzyme activity through fluorescence spectroscopy. This application is indispensable for drug discovery endeavors and the comprehensive understanding of metabolic profiles.
Hepatotoxicity Testing: In toxicological examinations, 7-EMC acts as a crucial marker for evaluating hepatotoxicity and liver damage induced by pharmaceutical compounds. By evaluating the activity of liver enzymes responsible for 7-EMC metabolism, researchers can detect early indicators of liver toxicity. This information is imperative for ensuring the safety and efficacy of novel drug candidates.
Environmental Monitoring: Within environmental research, 7-EMC finds utility in monitoring the presence and activity of xenobiotic-metabolizing enzymes across diverse ecosystems. Its distinctive fluorescence characteristics enable the detection and quantification of enzyme activity in water and soil samples. This monitoring aids in the assessment of environmental pollution levels and the evaluation of contaminant impacts on wildlife populations.
Bioremediation Studies: In the realm of bioremediation investigations, 7-EMC serves as a valuable tool for assessing the effectiveness of microorganisms in degrading pollutants. By tracking the conversion of 7-EMC into its fluorescent byproduct, scientists can ascertain the enzymatic capabilities of microbial communities engaged in the breakdown of environmental contaminants. This application is pivotal for formulating and optimizing strategies for efficient bioremediation practices.
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 204.078644241 g/mol |
| Monoisotopic Mass | 204.078644241 g/mol |
| Topological Polar Surface Area | 35.5Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 283 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22679830 | 2012-02-01 | [Determination of five coumarins in toys by high performance liquid chromatography-tandem mass spectrometry] | Se pu = Chinese journal of chromatography |
| 16959122 | 2006-09-01 | Simultaneous determination of urinary metabolites of methoxypsoralens in human and Umbelliferae medicines by high-performance liquid chromatography | Journal of chromatographic science |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2020129509-A1 | Phototoxicity or photoallergy measurement method and reagent for use in said measurement method | 2018-12-21 |
| EP-3901620-A1 | Phototoxicity or photoallergy measurement method and reagent for use in said measurement method | 2018-12-21 |
| EP-3686632-A1 | Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry | 2017-10-02 |
| US-2020333474-A1 | Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry | 2017-10-02 |
| US-11150358-B2 | Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry | 2017-10-02 |
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