Insights into binding modes of adenosine A2B antagonists with ligand-based and receptor-based methods was written by Cheng, Feixiong;Xu, Zhejun;Liu, Guixia;Tang, Yun. And the article was included in European Journal of Medicinal Chemistry in 2010.HPLC of Formula: 40230-24-8 This article mentions the following:
Ligand-based and receptor-based methods were used to investigate the binding modes of human adenosine A2B antagonists. At first, pharmacophore models were developed based on 140 diverse A2B antagonists from literature. Meanwhile, the structural model of A2B receptor was built up based on the crystal structure of human A2A receptor and validated by Induced Fit docking, Glide-XP and Glide-SP docking. Two models matched each other very well and some important implications were hence obtained. The residues of Phe173 and Glu174 in the second extracellular loop and Asn254 were crucial to the antagonists binding to form π-π stacking and hydrogen-bonding interactions. These findings would be very helpful for the discovery of novel and potent A2B antagonists. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8HPLC of Formula: 40230-24-8).
4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. Pyrimidine derivatives have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.HPLC of Formula: 40230-24-8
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia