| Identification | Back Directory | [Name]
7-DIETHYLAMINO-3-THENOYLCOUMARIN | [CAS]
77820-11-2 | [Synonyms]
7-DIETHYLAMINO-3-THENOYLCOUMARIN
7-Diethylamino-3-thenoylcoumarin ,97%
7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | [EINECS(EC#)]
145-632-3 | [Molecular Formula]
C18H17NO3S | [MDL Number]
MFCD00051376 | [MOL File]
77820-11-2.mol | [Molecular Weight]
327.4 |
| Chemical Properties | Back Directory | [Appearance]
yellow powder | [Melting point ]
138-142 °C
| [Boiling point ]
533.3±50.0 °C(Predicted) | [density ]
1.2165 (rough estimate) | [refractive index ]
1.7000 (estimate) | [form ]
Solid | [pka]
2.74±0.20(Predicted) | [color ]
Light yellow to yellow | [InChI]
InChI=1S/C18H17NO3S/c1-3-19(4-2)13-8-7-12-10-14(18(21)22-15(12)11-13)17(20)16-6-5-9-23-16/h5-11H,3-4H2,1-2H3 | [InChIKey]
HSYRYXPRQYPBBQ-UHFFFAOYSA-N | [SMILES]
C1(=O)OC2=CC(N(CC)CC)=CC=C2C=C1C(C1SC=CC=1)=O | [CAS DataBase Reference]
77820-11-2 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow powder | [Description]
7-Diethylamino-3-thenoyl-coumarin is a fluorescent probe. | [Uses]
BioA-IN-1 (Compound 15) is an inhibitor of BioA, a key enzyme in the biotin synthesis pathway of Mycobacterium tuberculosis, with an IC50 value of 0.195 μM. BioA-IN-1 exhibits antibacterial activity but has no cytotoxicity[1]. | [References]
[1] Park SW, et al. Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis. Chem Biol. 2015 Jan 22;22(1):76-86. DOI:10.1016/j.chembiol.2014.11.012 |
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