Ethyl 3-coumarincarboxylate
Based on 1 Customer Validation
Ethyl 3-coumarincarboxylate (Ethyl 2-oxo-2H-chromene-3-carboxylate) is a coumarin derivative and a coumarin-3-carboxylate bearing an electron-withdrawing ester substituent at the C3 position, and serves as a pseudo-template in molecularly imprinted polymers for the selective recognition of aflatoxins. Ethyl 3-coumarincarboxylate lacks antibacterial activity against Escherichia coli strains and exhibits low dienophile activity.
For research use only. We do not sell to patients.
- Purity : 99.81%
- CAS No.: 1846-76-0
- Formula: C12H10O4
- Molecular Weight:218.21
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Storage:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
Ethyl 3-coumarincarboxylate (compound 2) (0.1 mM; 24 h) does not directly damage plasmid DNA in E. coli K12 or R4 and does not produce more than about 3% oxidative modifications recognized by Fpg[5].
Ethyl 3-coumarincarboxylate (compound 11a) (0.05 M; 18-23 h) affords 16b in 82% yield in acetonitrile and 68% yield in THF via sequential one-pot flow hydrogenation/laccase-catalyzed arylation with 3-methoxycatechol (15b) using Agaricus bisporus laccase[6].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 1846-76-0
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Appearance Solid
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Molecular Weight 218.21
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Formula C12H10O4
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Color White to off-white
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SMILES
O=C(C(C1=O)=CC2=C(O1)C=CC=C2)OCC
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Synonyms
Ethyl 2-oxo-2H-chromene-3-carboxylate
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Solvent & Solubility
In Vitro:
DMSO : 25 mg/mL (114.57 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (11.46 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (11.46 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (285 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 4.5827 mL | 22.9137 mL | 45.8274 mL | 114.5685 mL |
| 5 mM | 0.9165 mL | 4.5827 mL | 9.1655 mL | 22.9137 mL | |
| 10 mM | 0.4583 mL | 2.2914 mL | 4.5827 mL | 11.4569 mL | |
| 15 mM | 0.3055 mL | 1.5276 mL | 3.0552 mL | 7.6379 mL | |
| 20 mM | 0.2291 mL | 1.1457 mL | 2.2914 mL | 5.7284 mL | |
| 25 mM | 0.1833 mL | 0.9165 mL | 1.8331 mL | 4.5827 mL | |
| 30 mM | 0.1528 mL | 0.7638 mL | 1.5276 mL | 3.8190 mL | |
| 40 mM | 0.1146 mL | 0.5728 mL | 1.1457 mL | 2.8642 mL | |
| 50 mM | 0.0917 mL | 0.4583 mL | 0.9165 mL | 2.2914 mL | |
| 60 mM | 0.0764 mL | 0.3819 mL | 0.7638 mL | 1.9095 mL | |
| 80 mM | 0.0573 mL | 0.2864 mL | 0.5728 mL | 1.4321 mL | |
| 100 mM | 0.0458 mL | 0.2291 mL | 0.4583 mL | 1.1457 mL |
Ethyl 3-coumarincarboxylate Related Classifications
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