ML406

Names

[ Name ]:
ML406

[Synonym ]:
Ethanone, 1-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl]-
1-{4-[4-(1,3-Benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl}ethanone
1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
MFCD06004413

Biological Activity

[Description]:

ML406 is a small molecule probe that shows anti-tubercular activity via MtbbioA (DAPA synthase) enzyme inhibition with an IC50 of 30 nM[1].

[Related Catalog]:

Research Areas >> Infection

Signaling Pathways >> Anti-infection >> Bacterial

[Target]

IC50 30 nM (BioA)[1]

[In Vitro]

ML406 inhibits WT Mycobacterium tuberculosis (Mtb) (H37Rv) growth inhibition with the IC50 of 3.2 μM. BioA is an enzyme involved in biotin biosynthesis in Mtb that may serve as lead compounds for drug development for tuberculosis (TB)[1].

[References]

[1]. Dominick Casalena, et al. Discovery of small molecule probe that shows anti-tubercular activity via MtbbioA (DAPA synthase) enzyme inhibition. January 16, 2015.

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
596.0±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C₂₀H₂₀N₂O₄

[ Molecular Weight ]:
352.384

[ Flash Point ]:
314.2±30.1 °C

[ Exact Mass ]:
352.142303

[ LogP ]:
0.82

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.621

Safety Information

[ Symbol ]:

GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H410

[ Precautionary Statements ]:
P273-P391-P501

[ RIDADR ]:
UN 3077 9 / PGIII