Development of indole hybrids for potential lung cancer treatment-part I: nitrogen-containing six-membered aromatic heterocyclesShijia ZhaoZhi Xu
Heterocycles – cyclic structures in which the ring atoms may include oxygen or nitrogen – can also be aromatic. Pyridine, for example, is an aromatic heterocycle. In the bonding picture for pyridine, the nitrogen is sp2-hybridized, with two of the three sp2 orbitals forming sigma overlaps wit...
An excellent correlation between the computed and the experimental values was obtained, demonstrating that this method can correctly estimate the relative magnetic properties of five-membered heterocycles. It is well known that thiophene is the most aromatic heterocycle in this series. This approach was...
Though a wide range of analogues was claimed, a 5-trifluoroethoxy substituent on a 2-substituted pyridine heterocycle is a feature common to most of the claims (e.g., 146, 149–153), suggesting a privileged template for their binding site. A wide range of aromatic amides have been ...
Herein, we present the second installment of the COMPAS Project, focused on cata-condensed heterocycle-containing PASs (cc-hPASs). Such molecules are especially promising as organic semiconductors36–41. We describe the construction of two datasets: COMPAS-2x and COMPAS-2D. The former contains ...
Herein, we present the second installment of the COMPAS Project, focused on cata-condensed heterocycle-containing PASs (cc-hPASs). Such molecules are especially promising as organic semiconductors36–41. We describe the construction of two datasets: COMPAS-2x and COMPAS-2D. The former contains ...
The γ-carbonyl ester and γ-diketones are significant raw materials for the construction of five-membered heterocycle frameworks but their efficient and general accessibility in contemporary synthetic chemistry remains highly challenging32,33. As illustrated in Fig.3(lower part), the direct deoxygenati...
Heterocyclic group is a 5- or 6-membered aromatic heterocyclic ring, saturated heterocyclic ring or condensed heterocyclic ring of these heterocyclic rings and benzene ring, all having, besides carbon atom, 1 to 3 hetero atoms selected from nitrogen atom, oxygen atom and sulfur atom as atom(s)...
There are provided novel pyrimidine derivatives which has been fused with an aromatic heterocycle selected from thiophene, thiazole and pyridine or pharmaceutically acceptable salts
(i) heteroaryl of 5 to 6 atoms with the ring atoms selected from carbon atoms and heteroatoms, wherein the heteroatoms are selected from the group consisting of oxygen, nitrogen, and --S(O)i -- wherein i is independently 0, 1 or 2 and which is optionally mono-, di- or tri- substi...