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. Author manuscript; available in PMC: 2009 Oct 23.
Published in final edited form as: J Med Chem. 2008 Sep 12;51(20):6512–6530. doi: 10.1021/jm800698b

Table 2.

Inhibitory activity of various pyrimidines on the ERα and ERβ/coactivator interaction as measured in TR-FRET and luciferase reporter gene assays.

graphic file with name nihms79500f14.jpg TR-FRET Ki(μM) Reporter Gene IC50(μM)
Cmpd # R1 R2 R3 ERα ERβ ERα
control SRC-1 BoxII 0.065 0.066
3c -CH2CH2Ph -OCH2CH(CH3)2 -OCH2CH(CH3)2 >1000 >1000 >1000
5b -CH2CH2Ph -SCH2CH(CH3)2 -SCH2CH(CH3)2 >1000 >1000
6a -CH2CH2Ph -SO2CH2CH(CH3)2 -SO2CH2CH(CH3)2 >1000 >1000
13e -CH2CH2CH(CH3)2 -OCH2CH(CH3)2 -OCH2CH(CH3)2 >1000 >1000
13g -CH2CH2CH(CH3)2 -SCH2CH(CH3)2 -SCH2CH(CH3)2 >1000 >1000
14a -CH2CH2CH(CH3)2 -SO2CH2CH(CH3)2 -SO2CH2CH(CH3)2 >1000 >1000
21a -NHCH2CH(CH3)2 -NHCH2CH(CH3) 2 -CH2CH2CH(CH3)2 >1000 >1000
21d -NHCH2CH(CH3)2 -NHCH2-1-Nap -CH2CH2CH(CH3)2 >1000 >1000 >1000
23a -CH2CH2CH(CH3)2 -CH2CH2CH(CH3 )2 -NHCH2CH(CH3)2 >1000 >1000
23b -CH2CH2CH(CH3)2 -CH2CH2CH(CH3 )2 -NHCH2Ph >1000 >1000 >1000
23c -CH2CH2CH(CH3)2 -CH2CH2CH(CH3 )2 -NHCH2-1-Nap >1000 >1000
24a -CH2CH2Ph -CH2CH2Ph -NHCH2CH(CH3)2 >1000 >1000 >1000
25a -NHCH2CH(CH3)2 -NHCH2CH(CH3)2 -NHCH2CH(CH3)2 5.7 299 2.4
25c -OCH2CH(CH3)2 -OCH2CH(CH3)2 -OCH2CH(CH3)2 >1000 >1000 >1000
25e -SCH2CH(CH3)2 -SCH2CH(CH3)2 -SCH2CH(CH3)2 120 >1000 >1000
27a -NHCH2CH(CH3)2 -NHCH2Ph -NHCH2CH(CH3)2 7.3 >1000 9.5
27b -NHCH2CH(CH3)2 -OCH2CH(CH3)2 -NHCH2CH(CH3)2 >1000 >1000
27c -NHCH2CH(CH3)2 -SCH2CH(CH3)2 -NHCH2CH(CH3)2 >1000 >1000
28 -NHCH2CH(CH3)2 -SO2CH2CH(CH3)2 -NHCH2CH(CH3)2 >1000 >1000
29a -CH2CH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 >1000 >1000
29c -CH2CH2-1-Nap -N(CH3)CH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 >1000 >1000
30 -CH2CH2Ph -N(CH3)CH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 >1000 >1000
31a -CH2CH2CH(CH3)2 -NHCH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 7.2 >1000 9.7
31c -CH2CH2-1-Nap -NHCH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 >1000 >1000
32 -CH2CH2Ph -NHCH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 >1000 >1000
34a -CH2CH2CH(CH3)2 -N(CH3)CH2CH(CH3)2 -NHCH2CH(CH3)2 >1000 >1000
34c -CH2CH2-1-Nap -N(CH3)CH2CH(CH3)2 -NHCH2CH(CH3)2 2.4 >1000 4.4
35 -CH2CH2Ph -N(CH3)CH2CH(CH3)2 -NHCH2CH(CH3)2 8.4 >1000 5.5
37a -CH2CH2CH(CH3)2 -NHCH2CH(CH3)2 -OCH2CH(CH3)2 >1000 >1000 6.9
37b -CH2CH2CH(CH3)2 -NHCH2CH(CH3)2 -SCH2CH(CH3)2 >1000 >1000
39 -CH2CH2CH(CH3)2 -NHCH2CH(CH3)2 -SO2CH2CH(CH3)2 >1000 >1000