CM121

Names

[ CAS No. ]:
2204230-40-8

[ Name ]:
CM121

Biological Activity

[Description]:

CM121 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.54 μM；Kd=1.1 μM) with a variety of hydrophobic interactions[1].

[Related Catalog]:

Signaling Pathways >> Metabolic Enzyme/Protease >> Aldehyde Dehydrogenase (ALDH)

Research Areas >> Others

[Target]

IC50: 0.54 μM (ALDH1A2), Kd: 1.1 μM (ALDH1A2)[1]

[In Vitro]

CM121 interacts with the main-chain amides of Cys320 and Thr321 and the side-chains of Thr321 and Asn187 via methylsulfonyl oxygen. CM121 establishes π-π stacking with the side chains of PHE188 and PHE314 through methylsulfonyl benzene and benzylonitrile rings[1].

[References]

[1]. Chen Y, et al. Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem Biol. 2018;13(3):582-590

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₄H₁₇FN₄O₃S

[ Molecular Weight ]:
460.48