Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists was written by Yaziji, Vicente;Rodriguez, David;Gutierrez-de-Teran, Hugo;Coelho, Alberto;Caamano, Olga;Garcia-Mera, Xerardo;Brea, Jose;Loza, Maria Isabel;Cadavid, Maria Isabel;Sotelo, Eddy. And the article was included in Journal of Medicinal Chemistry in 2011.Formula: C16H13N3 This article mentions the following:
Two regioisomeric series of diaryl 2- or 4-amidopyrimidines e. g. I, II have been synthesized and their adenosine receptor affinities were determined in radioligand binding assays at the four human adenosine receptors (hARs). Some of the ligands prepared herein exhibit remarkable affinities (Ki < 10 nm) and, most noticeably, the absence of activity at the A1, A2A, and A2B receptors. The structural determinants that support the affinity and selectivity profiles of the series were highlighted through an integrated computational approach, combining a 3D-QSAR model built on the second generation of GRid Independent Descriptors (GRIND2) with a novel homol. model of the hA3 receptor. The robustness of the computational model was subsequently evaluated by the design of new derivatives exploring the alkyl substituent of the exocyclic amide group. The synthesis and evaluation of the novel compounds validated the predictive power of the model, exhibiting excellent agreement between predicted and exptl. activities. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Formula: C16H13N3).
4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Formula: C16H13N3
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia