7-DIETHYLAMINO-3-THENOYLCOUMARIN Chemical Properties

Melting point:

138-142 °C

Boiling point:

533.3±50.0 °C(Predicted)

Density 

1.2165 (rough estimate)

refractive index 

1.7000 (estimate)

pka

2.74±0.20(Predicted)

form 

Solid

color 

Light yellow to yellow

Appearance

Solid Powder

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

Safety Information

Safety Statements 

24/25

HS Code 

29349990

MSDS

• Language:English Provider:ACROS

7-DIETHYLAMINO-3-THENOYLCOUMARIN Usage And Synthesis

Description

7-Diethylamino-3-thenoyl-coumarin is a fluorescent probe.

Chemical Properties

yellow powder

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

7-DIETHYLAMINO-3-THENOYLCOUMARIN(77820-11-2)Related Product Information

• Coumarin
• 8-ACETYL DIMETHOXYCOUMARIN
• 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID METHYL ESTER
• 3-BUTOXYANILINE
• 4-(Dimethylamino)cinnamaldehyde
• 3-(2-Thienyl)-1-propanol
• 4-(4-DIMETHYLAMINO-PHENYL)-BUT-3-EN-2-ONE
• 7-DIETHYLAMINO-3-THENOYLCOUMARIN
• Methyl-3-(2-thienyl)=propionate
• 1-(2H-1-Benzopyran-3-yl)ethanone
• 1-(2-Thienyl)-1-propanone
• 3-Acetoxy-N,N-dimethylaniline
• TRANS-4-(DIETHYLAMINO)CINNAMALDEHYDE
• 2-CINNAMOYLTHIOPHENE
• 7-DIETHYLAMINOCOUMARIN
• 3-(2-THIENYL)PROPIONIC ACID