Synthesis, Characterization, and Binding Property of Isoelectronic Analogues of Nucleobases, B(6)-Substituted 5-Aza-6-borauracils and -thymines

As isoelectronic BN-containing analogues of 6-substituted uracil and thymine, a series of B(6)-substituted 5-aza-6-borauracils (UBNs) and -thymines (TBNs) were synthesized and fully characterized. The crystallographic and spectroscopic analyses of the analogues revealed that the framework and hydrogen-bonding pattern of TBNs were similar to those of the original nucleobase, thymine.