8α-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate

Names

[ Name ]:
8α-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate

Biological Activity

[Description]:

8α-(2-Methylacryloyloxy)-hirsutinolide-13-O-acetate is an irreversible CYP2A6 inhibitor with IC50s of 8.64 μM and 22.3 μM with pre-incubation and co-incubaition, respectively. 8α-(2-Methylacryloyloxy)-hirsutinolide-13-O-acetate also inhibits MAO-A and MAO-B with IC50s of 60.2 and 38.6 μM, respectively[1].

[Related Catalog]:

Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450

Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase

Research Areas >> Inflammation/Immunology

[Target]

IC50: 8.64 μM (CYP2A6, pre-incubation), 22.3 μM (CYP2A6, co-incubation), 38.6 μM (MAO-B), 60.2 μM(MAO-A)[1] Ki: 15.1 μM (CYP2A6), 27.2 μM (MAO-B), 60.2 μM (MAO-A)[1]

[References]

[1]. Prasopthum A, et al. Inhibition effects of Vernonia cinerea active compounds against cytochrome P450 2A6 and human monoamine oxidases, possible targets for reduction of tobacco dependence. Drug Metab Pharmacokinet. 2015 Apr;30(2):174-81.

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₁H₂₆O₈

[ Molecular Weight ]:
406.42600

[ Exact Mass ]:
406.16300

[ PSA ]:
108.36000

[ LogP ]:
2.07220

Safety Information

[ Hazard Codes ]:
Xi