Quantitative structure-activity relationships in minor tranquilizers, benzodiazepinooxazole derivatives.

Quantitative Structure-Activity Relationships of the Benzodiazepines. A Review and Reevaluation

“…From the log P = 1.67Rm relationship between Rm and log P they showed for eq 10 that the ideal log P (log P0) was 2.5. Yoshimoto et al 39 in an extensive study of a new type (see Table 9) of benzodiazepinooxazole derivative used nine different assays. From these results they derived QSAR 14-22. antibemegride activity (anxiolyticsedative activity) n = 30, r = 0.898, s = 0.189 In the above QSAR C is the ED50 concentration in moles per kilogram (mol/kg), 7i = 1 or 0 for the presence/absence of CH3 at Rg, f2 = 1 or 0 for the pressure/absence of CH3 at Rg, and 73 = 1 or 0 for Rio = CH3/H.…”

“…Table 7 contains data58 for a group of partial inverse agonists acting in vitro from which we have derived eqs 39-41: log UK; = 0.77(±0.71)ct + 5.88(±0.28) (39) ix = 14, t = 0.563, s = 0.361, F1>13 In these equations o applies to R in the 5-position of the indole ring. Attempts to parameterize R', except in terms of 7i and 72, were unsuccessful and log P was not a useful parameter.…”

Studies on 1-substituted 4-(1,2-diphenylethyl)piperazine derivatives and their analgesic activities. 2. Structure-activity relationships of 1-cycloalkyl-4-(1,2-diphenylethyl)piperazines

“…Procedure E. Acylation (12)(13)(14)(15). A mixture of 5a-2HCl (5.2 g, 11.9 mmol), propionic anhydride (10.0 g, 76.8 mmol), and pyridine (100 mL) was refluxed for 4 h, and the solvent was removed in vacuo.…”

“…Procedure E. Acylation (12)(13)(14)(15). A mixture of 5a.2HC1 (5.2 g, 11.9 mmol), propionic anhydride (10.0 g, 76.8 mmol).…”

“…14 The most active compound among the para-substituted derivatives on the 2-phenyl group was 6b, and its activity was only 1.4 and 0.93 times that of 4b and morphine, respectively. Accordingly, it is suggested that there may be an inverse correlation between the analgesic activity of the meta-substituted compounds and the contribution of their substituents to lipophilicity.…”