II399

II399 is a potent, selective NNMT bisubstrate inhibitor containing an unconventional SAM mimic, with a Ki of 5.9 nM. II399 exhibits an explicit pattern of competitive inhibition for NAM. II399 occupies both the substrate and cofactor binding pockets. II399 has the potential for the research of cancers, metabolic, cardiovascular, and neurodegenerative diseases[1][2].

Product Specifications

CAS Number

[2928480-72-0]

UNSPSC

12352005

Target

Amine N-methyltransferase

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Cancer; Metabolic Disease; Neurological Disease; Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/ii399.html

Solubility

10 mM in DMSO

Smiles

O[C@H]1[C@@H](C[C@@H]([C@H]1O)CN(C(C)=O)CC#CC2=CC(C(N)=O)=CC=C2)N3C4=NC=NC(Cl)=C4C=C3

Molecular Formula

C24H24ClN5O4

Molecular Weight

481.93

References & Citations

[1]Meng Y, et al. Comparative Analysis of Two NNMT Bisubstrate Inhibitors through Chemoproteomic Studies: Uncovering the Role of Unconventional SAM Analogue Moiety for Improved Selectivity. ACS Chem Biol. 2024 Jan 19;19 (1) :89-100.|[2]ID, et, al. Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-MethyltransferaseIyamu. Angew Chem Int Ed Engl. 2022 Apr 11;61 (16) :e202114813.