Pyrimidine is a nitrogenous base similar to benzene (a six-membered ring) and includes cytosine, thymine, and uracil as bases used for DNA or RNA. 2927-71-1, formula is C4HCl2FN2, Name is 2,4-Dichloro-5-fluoropyrimidine. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Formula: C4HCl2FN2.
Kuhn, Bernd;Tichy, Michal;Wang, Lingle;Robinson, Shaughnessy;Martin, Rainer E.;Kuglstatter, Andreas;Benz, Jorg;Giroud, Maude;Schirmeister, Tanja;Abel, Robert;Diederich, Francois;Hert, Jerome research published 《 Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors》, the research content is summarized as follows. Improving the binding affinity of a chem. series by systematically probing one of its exit vectors is a medicinal chem. activity that can benefit from mol. modeling input. Herein, the authors compare the effectiveness of four approaches in prioritizing building blocks with better potency: selection by a medicinal chemist, manual modeling, docking followed by manual filtering, and free energy calculations (FEP). The authors’ study focused on identifying novel substituents for the apolar S2 pocket of cathepsin L and was conducted entirely in a prospective manner with synthesis and activity determination of 36 novel compounds The authors found that FEP selected compounds with improved affinity for 8 out of 10 picks compared to 1 out of 10 for the other approaches. From this result and other addnl. analyses, the authors conclude that FEP can be a useful approach to guide this type of medicinal chem. optimization once it has been validated for the system under consideration.
2927-71-1, 2,4-Dichloro-5-fluoropyrimidine is a useful research compound. Its molecular formula is C4HCl2FN2 and its molecular weight is 166.97 g/mol. The purity is usually 95%.
2,4-Dichloro-5-fluoropyrimidine is an aromatic hydrocarbon that has been shown to inhibit the growth of mouse tumor cells in vitro. It also inhibits the production of amines by reacting with industrial chemicals and sodium carbonate. This compound has potent inhibitory activity against autoimmune diseases and cytotoxic potency on mcf-7 cells. Furthermore, 2,4-Dichloro-5-fluoropyrimidine has been shown to have a chlorinating effect on cancer cells., Formula: C4HCl2FN2
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia