A series of 5-keto-substituted 7-tert-buty1-2,3-dihydro-3,3- dimethylbenzofurans (DHDMBFs) were prepared and evaluated as potential nonsteroidal antiinflammatory and analgesic agents. Interest in this class of compounds arose when a DHDMBF was found to be an active metabolite of the di-tert-butylphenol antiinflammatory agent tebufelone. We have now found that a variety of 5-keto-substituted DHDMBFs have good in vivo antiinflammatory and analgesic activity after oral administration. These compounds inhibit both cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) in vitro. The cyclooxygenase inhibition was found to be selective for the cyclooxygenase-2 isoform, and this combination of COX-2/5-LOX inhibition may be responsible for the gastrointestinal safety of compounds such as 30.
From a detailed analysis of the carbon-13 spectral data of 52 bicyclo[3.3.0]octanes a set of substituent effects was derived from the monosubstituted compounds. Using the shift change values (AS) from this basis set, it is possible to accurately predict chemical shifts for polyfunctionalized bicyclo[3.3.0]octanes. These predictions, used in conjunction with statistical tools (IEl and R values), permit regio-and stereochemical analysis of new bicyclo[3.3.0] derivatives.
Electron-momentum spectroscopy based on the (e,2e) reaction has been used to observe the energy-momentum density of valence electrons in the ͓110͔ direction for an ultrathin, free-standing film of crystalline silicon. An asymmetric scattering geometry is used in which the incident, scattered and ejected electron energies are 20.8, 19.6, and 1.2 keV, respectively. The measurement is complicated by the possibility of diffraction of the free electrons. The theory of the reaction including diffraction is summarized and applied to experiments with different target orientations. The orientation is determined from an independent electron diffraction experiment. Very good agreement between theory and experiment is observed. ͓S0163-1829͑98͒01220-X͔
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