. Author manuscript; available in PMC: 2011 Jan 14.

Published in final edited form as: J Med Chem. 2010 Jan 14;53(1):52–60. doi: 10.1021/jm901069a

Table 3.

In vitro potency of purine nitrile analogs

Compound	R₁	R₂	IC₅₀(μM)^a

32	Ethyl	3,5-difluorophenyl	0.010
33	2,2-difluoroethyl	3,5-difluorophenyl	0.013
34	Cyclopentyl	3,5-difluorophenyl	0.018
35	Ethyl	3-chlorophenyl	0.018
36	Cyclopentyl	3-chlorophenyl	0.040
37	3,5-difluorophenyl	2,2-difluoroethyl	0.050
38	3-chlorophenyl	Ethyl	0.063
39	3-chlorophenyl	2,2-difluoroethyl	0.071
40	3,5-difluorophenyl	Ethyl	0.251
41	3,5-difluorophenyl	Cyclopentyl	0.316

IC₅₀ values were determined at NIH Chemical Genomics Center using the qHTS protocol and NCGC curve fitting software. Compounds were run in duplicate with Log IC₅₀ standard errors ranging from 0 to 0.02.