So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Ahmed Al-Hadhrami, Nahlah; Ladwig, Angelique; Rahman, Adeyemi; Rozas, Isabel; Paul G. Malthouse, J.; Evans, Paul researched the compound: 4-Aminopyrimidine( cas:591-54-8 ).Recommanded Product: 4-Aminopyrimidine.They published the article 《Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking》 about this compound( cas:591-54-8 ) in Bioorganic & Medicinal Chemistry. Keywords: guanidinylpyridine synthesis trypsin inhibition docking; safety allergic reaction aminomethoxymethylnicotinamide; Enzymology; Halogen bonding; Hydrogen bonding; Inhibitor; Molecular docking; Pyridin-2-yl guanidine; Serine protease. We’ll tell you more about this compound (cas:591-54-8).
A range of guanidine-based pyridines, and related compounds, have been prepared (19 examples). These compounds were evaluated in relation to their competitive inhibition of bovine pancreatic trypsin. Results demonstrate that compounds in which the guanidinyl substituent can form an intramol. hydrogen bond (IMHB) with the pyridinyl nitrogen atom are better trypsin inhibitors than their counterparts that are unable to form an IMHB. Among the compounds 6a-p, examples containing a 5-halo substituent were, generally, found to be better trypsin inhibitors. This trend was inversely related to electronegativity, thus, 1-(5-iodopyridin-2-yl)guanidinium ion 6e (I.TFA) (Ki = 0.0151 mM) was the optimum inhibitor in the 5-halo series. Amongst the isomeric Me substituted compounds, 1-(3-methylpyridin-2-yl)guanidinium ion 6h (II.TFA) demonstrated optimum levels of trypsin inhibition (Ki = 0.0140 mM). In order to rationalize the measured enzyme inhibition, selected compounds were docked with bovine and human trypsin with a view to understanding active site occupancy and taken together with the Ki values the order of inhibitory ability suggests that the 5-halo 2-guanidinyl pyridine inhibitors form a halogen bond with the catalytically active serine hydroxy group. Safety: severe allergic reactions have been reported with 6-amino-N-methoxy-N-methylnicotinamide.
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