Formula: C4H9Cl2N3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (1H-Imidazol-2-yl)methanamine dihydrochloride, is researched, Molecular C4H9Cl2N3, CAS is 22600-77-7, about 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships. Author is Deaton, David N.; Haffner, Curt D.; Henke, Brad R.; Jeune, Michael R.; Shearer, Barry G.; Stewart, Eugene L.; Stuart, J. Darren; Ulrich, John C..
Starting from 4-amino-8-quinoline carboxamide lead 1a and scaffold hopping to the chem. more tractable quinazoline, a systematic exploration of the 2-substituents of the quinazoline ring, utilizing structure activity relationships and conformational constraint, resulted in the identification of 39 novel CD38 inhibitors. Eight of these analogs were 10-100-fold more potent human CD38 inhibitors, including the single digit nanomolar inhibitor 1am (2-(3′-Amino-1’H-spiro[cyclopropane-1,6′-pyrrolo[3,4-c]pyrazol]-5(4H)-yl)-4-((2-fluoro-6-(trifluoromethyl)benzyl)amino)quinazoline-8-carboxamide). Several of these mols. also exhibited improved therapeutic indexes relative to hERG activity. A representative analog 1r ((R)-4-((2-fluoro-6-(trifluoromethyl)benzyl)amino)-2-(6-methylpyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)quinazoline-8-carboxamide) exhibited suitable pharmacokinetic parameters for in vivo animal studies, including moderate clearance and good oral bioavailability. These inhibitor compounds will aid in the exploration of the enzymic functions of CD38, as well as furthering the study of the therapeutic implications of NAD enhancement in metabolic disease models.
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Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics