Chiral Resolution, Absolute Configuration Assignment, and Genotoxicity Evaluation of Racemic 3,4-Dihydroquinazoline as a Novel Anticancer Agent

Figure 3

The most stable 3D-conformations of (S, 4R)-8a and (S, 4S)-8b based on molecular mechanics (MM2) calculation. The calculated anisotropic effect zone of the benzene ring was represented by yellow-colored dotted circle (radius 4 Å: Δδ = 0.5 ppm) according to the reported literature [21]. The chemical shifts of N-methyl groups inside white yellow-colored dotted circles in (S, 4R)-8a (a) and (S, 4S)-8b (b) exhibited 2.07 and 2.57 ppm.

(a)

(b)