61507-88-8Relevant articles and documents
Studies on the π-π Stacking features of imidazole units present in a series of 5-amino-1-alkylimidazole-4-carboxamides
Ray, Sibdas,Das, Aniruddha
, p. 146 - 152 (2015/03/18)
Reaction of 2-ethoxymethyleneamino-2-cyanoacetamide with primary alkyl amines in acetonitrile solvent affords 1-substituted-5-aminoimidazole-4-carboxamides. Single crystal X-ray diffraction studies of these imidazole compounds show that there are both anti-parallel and syn-parallel π-π stackings between two imidazole units in parallel-displaced (PD) conformations and the distance between two π-π stacked imidazole units depends mainly on the anti/ syn-parallel nature and to some extent on the alkyl group attached to N-1 of imidazole; molecules with anti-parallel PD-stacking arrangements of the imidazole units have got vertical π-π stacking distance short enough to impart stabilization whereas the imidazole unit having syn-parallel stacking arrangement have got much larger π-π stacking distances. DFT studies on a pair of anti-parallel imidazole units of such an AICA lead to curves for 'π-π stacking stabilization energy vs. π-π stacking distance' which have got similarity with the 'Morse potential energy diagram for a diatomic molecule' and this affords to find out a minimum π-π stacking distance corresponding to the maximum stacking stabilization energy between the pair of imidazole units. On the other hand, a DFT calculation based curve for 'π-π stacking stabilization energy vs. π-π stacking distance' of a pair of syn-parallel imidazole units is shown to have an exponential nature.
PURINONE ANTIANGINAL AGENTS
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, (2008/06/13)
Compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein R1 is C1-C4 alkyl; R2 is C2-C4 alkyl; R3 is H or SO2NR4R5; R4 and R5 together with the nitrogen atom to which they are attached form a pyrrolidino, piperidino, morpholino or 4-N-(Rs)-1-piperazinyl group; and R6 is H or C1-C3 alkyl; are selective cGMP PDE inhibitors useful in the treatment of, Inter alia, cardiovascular disorders such as angina, hypertension, heart failure and atherosclerosis.