2204230-40-8

2204230-40-8 structure

2204230-40-8 structure

Name: CM121
Chemical Name: CM121
CAS Number: 2204230-40-8
Molecular Formula: C₂₄H₁₇FN₄O₃S
Molecular Weight: 460.48
Catalog: Signaling Pathways Metabolic Enzyme/Protease Aldehyde Dehydrogenase (ALDH)
Create Date: 2021-09-05 16:00:27
Modify Date: 2024-01-14 12:16:47
CM121 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.54 μM；Kd=1.1 μM) with a variety of hydrophobic interactions[1].

Name	CM121

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

Molecular Formula	C₂₄H₁₇FN₄O₃S
Molecular Weight	460.48