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. 2010 Apr 27;12(3):318–329. doi: 10.1208/s12248-010-9191-3

Table II.

Identities of 1802 Library Functionality Groups: R1, R2, R3, and R4 Correspond to Positions on the Pyrrolidine Bis-cyclic Guanidine Core Scaffold, 1346 (see Fig. 1)

1802 R1 R2 R3 R4
1 R-benzyl S-isobutyl X X
2 R-benzyl R-2-butyl X X
3 R-benzyl S-2-napthylmethyl X X
4 R-benzyl S-cyclohexyl X X
5 R-benzyl S-hydroxymethyl X X
6 S-hydroxymethyl S-isobutyl X X
7 S-hydroxymethyl R-2-butyl X X
8 S-hydroxymethyl S-2-napthylmethyl X X
9 S-hydroxymethyl S-cyclohexyl X X
10 S-hydroxymethyl S-hydroxymethyl X X
11 R-butyl S-isobutyl X X
12 R-butyl R-2-butyl X X
13 R-butyl S-2-napthylmethyl X X
14 R-butyl S-cyclohexyl X X
15 R-butyl S-hydroxymethyl X X
16 R-cyclohexyl S-isobutyl X X
17 R-cyclohexyl R-2-butyl X X
18 R-cyclohexyl S-2-napthylmethyl X X
19 R-cyclohexyl S-cyclohexyl X X
20 R-cyclohexyl S-hydroxymethyl X X
21 S-butyl S-isobutyl X X
22 S-butyl R-2-butyl X X
23 S-butyl S-2-napthylmethyl X X
24 S-butyl S-cyclohexyl X X
25 S-butyl S-hydroxymethyl X X

The 1802 series of samples were designed by fixing the first two positions of the pyrrolidine bis-cyclic guanidine scaffold (1346) based on the results of the in vivo screening of the 1346 library. The R3 and R4 positions are equal molar mixtures of the 26 R3 functionalities and 42 R4 functionalities. Each sample in the 1802 series contains an equal molar mixture of 1,092 (26 × 42) compounds