X-ray structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1, 8-dibenzylxanthines

…, P Wang, P Dunten, G Ramsey, ML Gubler…

Index: Foley, Louise H.; Wang, Ping; Dunten, Pete; Ramsey, Gwendolyn; Gubler, Mary-Lou; Wertheimer, Stanley J. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 21 p. 3871 - 3874

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Citation Number: 16

Abstract

The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N- 7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as ...