Synthesis of 7-Alkyl-4-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acids. -12 Title compounds of type (V) are prepared and screened for their potential biological activity. -(VERVES, E. V.; KUCHER, A. V.; MUZYCHKA, L. V.; SMOLII*, O. B.; Chem. Heterocycl.

Predictive QSAR models for the search of new adenosine A 2A receptor antagonists were developed by using OCHEM platform. The predictive ability of the regression models has coefficient of determination q 2 = 0.65−0.71 with crossvalidation and independent test set. The inhibition activities of novel fused 7-deazaxanthine compounds were predicted by the developed QSAR models.A preparative method for the synthesis of pyrimido[5′,4′:4,5]pyrrolo [1,2-a][1,4] diazepine derivatives was developed, and 11 new adenosine A 2A receptor antagonists were obtained. Preliminary investigations into the toxicology of fused 7-deazaxanthine compounds toward commonly used model organism to assess toxicity invertebrate cladoceran D. magna were also described.

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