Benzoxepin-Derived Estrogen Receptor Modulators:  A Novel Molecular Scaffold for the Estrogen Receptor

We present and examine the efficacy of a novel benzoxepin-based scaffold for modulation of the human estrogen receptor. Receptor tolerance of this new molecular scaffold is examined through presentation of experimentally determined antiproliferative effects on human MCF-7 breast tumor cells and measured binding affinities. The effect of functional group substitution on the benzoxepin scaffold is explored through a brief computational structure−activity relationship investigation with molecular simulation.