| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
hMAO-B (human monoamine oxidase B).
|
|---|---|
| ln Vitro |
Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate inhibits hMAO-B with an IC50 of 45.52 μM. This activity confirms its potential as a selective hMAO-B inhibitor. Its coumarin scaffold may also contribute to other biological activities, such as fluorescence, which can be utilized in various research applications.
|
| ln Vivo |
As an hMAO-B inhibitor, this compound has the potential to modulate monoamine neurotransmitter levels in vivo. Its coumarin core structure may also confer additional properties, such as antioxidant or anti-inflammatory activities, which are common among coumarin derivatives.
|
| Enzyme Assay |
In vitro enzyme assays are performed to evaluate the inhibitory activity of this compound against hMAO-B. The enzyme is incubated with a substrate (e.g., kynuramine) and varying concentrations of the compound. The inhibition of enzyme activity is measured, and the IC50 is calculated from the concentration-response curve.
|
| Cell Assay |
Cells expressing hMAO-B are treated with the compound to assess its cellular effects. The compound's ability to inhibit hMAO-B activity in intact cells is measured by monitoring the metabolism of monoamine substrates. Its effects on cell viability and signaling pathways can also be evaluated.
|
| Animal Protocol |
In vivo studies could be conducted in animal models to evaluate the effects of hMAO-B inhibition by this compound. However, no specific in vivo data are publicly available. Its coumarin scaffold suggests that it may have favorable drug-like properties, but detailed studies would be required.
|
| ADME/Pharmacokinetics |
No specific pharmacokinetic data are publicly available for this compound. As a coumarin derivative, its absorption, distribution, metabolism, and excretion would be influenced by its lipophilicity and other physicochemical properties. Standard PK studies would be needed to characterize its ADME profile.
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| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available. As a coumarin derivative, its safety profile would need to be evaluated in standard toxicology studies. Some coumarins have been associated with hepatotoxicity, so this would be a key consideration in any therapeutic development.
|
| References |
[1]. Secci D, et al. Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. Eur J Med Chem. 2011 Oct;46(10):4846-52.
|
| Additional Infomation |
Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a coumarin-based hMAO-B inhibitor with potential research applications in neurology. Its coumarin scaffold also makes it useful as a fluorescent probe in various biological and chemical studies. It is not approved for clinical use and is primarily a research tool. The compound is also known by its IUPAC name and is sometimes referred to as Ethyl 7-(diethylamino)coumarin-3-carboxylate.
|
| Molecular Formula |
C16H19NO4
|
|---|---|
| Molecular Weight |
289.33
|
| Exact Mass |
289.131
|
| CAS # |
28705-46-6
|
| PubChem CID |
120014
|
| Appearance |
Light green to green solid powder
|
| Density |
1.204g/cm3
|
| Boiling Point |
455.6ºC at 760mmHg
|
| Melting Point |
86ºC
|
| Flash Point |
229.3ºC
|
| Vapour Pressure |
1.73E-08mmHg at 25°C
|
| Index of Refraction |
1.57
|
| LogP |
2.815
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
21
|
| Complexity |
428
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(C(C(=O)OC([H])([H])C([H])([H])[H])=C([H])C2C([H])=C([H])C(=C([H])C1=2)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
MSOLGAJLRIINNF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
|
| Chemical Name |
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
|
| 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 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 | 3.4563 mL | 17.2813 mL | 34.5626 mL | |
| 5 mM | 0.6913 mL | 3.4563 mL | 6.9125 mL | |
| 10 mM | 0.3456 mL | 1.7281 mL | 3.4563 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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