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774589-47-8

774589-47-8 structure
774589-47-8 structure
  • Name: ML406
  • Chemical Name: 1-{4-[4-(1,3-Benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl}ethanone
  • CAS Number: 774589-47-8
  • Molecular Formula: C20H20N2O4
  • Molecular Weight: 352.384
  • Catalog: Signaling Pathways Anti-infection Bacterial
  • Create Date: 2018-07-12 23:00:18
  • Modify Date: 2024-01-13 15:25:07
  • ML406 is a small molecule probe that shows anti-tubercular activity via MtbbioA (DAPA synthase) enzyme inhibition with an IC50 of 30 nM[1].

Name 1-{4-[4-(1,3-Benzodioxol-5-ylcarbonyl)-1-piperazinyl]phenyl}ethanone
Synonyms 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
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
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.

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
Symbol GHS09
GHS09
Signal Word Warning
Hazard Statements H410
Precautionary Statements P273-P391-P501
RIDADR UN 3077 9 / PGIII