Antiallergics, QSAR

An example of how the QSAR equation can change and become more specific as a study develops is demonstrated from a study carried out by workers at Smith, Kline, French on the antiallergic activity of a series of pyranenamines (Fig. 9.22). In this study, substituents were varied on the aromatic ring, and the remainder of the molecule was kept constant. Nineteen compounds were synthesized and the first QSAR equation was obtained by only considering it and a ... 

A series of antiallergic pyranenamlnes was developed with the aid of QSAR.52 The clinical candidate of this class of compound appears to be SKF-78929"A (29) which has an IDcq of O.7 in g by both the i.v. and oral routes. Compound 29 also produced a dose dependent Inhibition of immunologic release of hlstwlne and SRS-A from passively sensitized rhesus monkey and canine lung. ... 

Isatin (lH-indole-2,3-dione) is an endogenous compoimd identified in humans. This class of compoimds possesses a wide range of biological activities [35] that include antiallergic, anticancer, anticonvulsant, antidiuretic, antithrombotic, antitubercular, antiviral, anxiogenic, immunosuppressant, muscle relaxant, and sedative activities. Vine et aL [36] synthesized a variety of isatin derivatives (XII) and evaluated their cytotoxic activities against the human monocyte-Uke histiocytic lymphoma (U937) ceU line in vitro. We used these cytotoxic data to develop QSAR Eq. 11 (Table 5) ... 

The Development of Antiallergic Pyranenamine Series A QSAR Success Story... 

R. D. Cramer III, K. M. Snader, C. R. Willis, L W. Chakrin, J. Thomas, and B. M. Sutton, ACS Symposium Series 118, American Chemical Society, Washington, DC, 1980, p. 159. The Development of Antiallergic Pyranenamine Series a QSAR Success Story. 

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