We have previously reported on the diverse biological activities of benzo[a
]phenothiazines, such as the induction of antitumor and antimutagenic activ
ity in vivo, and differentiation and apoptosis in vitro. The relationship o
f radical generation and pi-spin density or dipole moment was investigated,
using quantum-chemical calculation with UHFIPM3. These data suggest that t
he origin of radical generation by active benzo[a]phenothiazines, which aff
ect such biological activities might be N-atom at position 12.