CAS Number28705-46-6
Synonyms7-diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester; 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester; ethyl 7-diethylaminocoumarin-3-carboxylate; Ethyl 7-(Diethylamino)coumarin-3-carboxylate; 7-diethylamino-2-oxo-2H-chromene-3-carboxylic acid ethyl ester; 7-diethylaminocoumarin-3-carboxylic acid ethyl ester; ethyl 7-(diethylamino)-2-oxo-2H-[1]benzopyran-3-carboxylate; ethyl 7-diethylamino-2-oxo-2H-chromene-3-carboxylate
Molecular FormulaC16H19NO4
Molecular Weight289.33
Density1.204g/cm3
Boiling Point455.6ºC at 760mmHg
Melting Point86ºC
AppearanceSolid;Light yellow to Amber to Dark green powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 28705-46-6 |
| Catalog No. | 2A-1192680 |
| Chinese Name | 7-(二乙氨基)香豆素-3-甲酸乙酯 |
| Synonyms | 7-diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester; 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester; ethyl 7-diethylaminocoumarin-3-carboxylate; Ethyl 7-(Diethylamino)coumarin-3-carboxylate; 7-diethylamino-2-oxo-2H-chromene-3-carboxylic acid ethyl ester; 7-diethylaminocoumarin-3-carboxylic acid ethyl ester; ethyl 7-(diethylamino)-2-oxo-2H-[1]benzopyran-3-carboxylate; ethyl 7-diethylamino-2-oxo-2H-chromene-3-carboxylate |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.33 |
| Density | 1.204g/cm3 |
| Boiling Point | 455.6ºC at 760mmHg |
| Melting Point | 86ºC |
| Appearance | Solid;Light yellow to Amber to Dark green powder to crystal |
| Water Solubility | Soluble in: methanol |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Application | Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a potent hMAO-B selective inhibitor with an IC50 of 45.52 μM. |
| HTC | 2932209090 |
| SMILES | CCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O |
| InChI | 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 |
| InChI Key | MSOLGAJLRIINNF-UHFFFAOYSA-N |
| Bioactivity | Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a potent and selective inhibitor of hMAO-B with an IC50 of 45.52 μM[1]. Related Catalog Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease 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. Chemical & Physical Properties Density 1.204g/cm3 Boiling Point 455.6ºC at 760mmHg Melting Point 86ºC Molecular Formula C16H19NO4 Molecular Weight 289.32600 Flash Point 229.3ºC Exact Mass 289.13100 PSA 59.75000 LogP 2.81590 Vapour Pressure 1.73E-08mmHg at 25°C Index of Refraction 1.57 InChIKey MSOLGAJLRIINNF-UHFFFAOYSA-N SMILES CCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O |
| Use of | Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a potent and selective inhibitor of hMAO-B with an IC50 of 45.52 μM[1]. Properties Name ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate Synonym More Synonyms Biological Activity Description Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a potent and selective inhibitor of hMAO-B with an IC50 of 45.52 μM[1]. Related Catalog Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease 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. Chemical & Physical Properties Molecular Formula C16H19NO4 Exact Mass 289.13100 PSA 59.75000 LogP 2.81590 Index of Refraction 1.57 InChIKey MSOLGAJLRIINNF-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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