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. 2012 Jan 16;55(4):1511–1525. doi: 10.1021/jm201195m

Table 2. STLC Analogues with Modified Trityl Ringsa.

graphic file with name jm-2011-01195m_0002.jpg

compd X R1 R2 inhibition of basal ATPase activity, Kiapp (nM) ligand efficiency K562 cells, GI50 (nM)
11 S 2-Cl (R)-CO2H 1783.9 ± 384.0 0.29 nd
12 S 3-F H 377.4 ± 38.4 0.36 nd
13 S 3-Cl (R)-CO2H 89.9 ± 18.5 0.36 2404 ± 222
14 S 3-Cl H 297.8 ± 60.0 0.37 1045 ± 42
15 S 3-Br H 293.9 ± 61.8 0.37 nd
16 S 3-Me H 80.0 ± 23.9 0.40 698 ± 115
17 S 3-Et H 5.9 ± 2.3 0.45 680 ± 84
18 S 3-i-Pr H 10.3 ± 3.4 0.42 581 ± 68
19 S 3-n-Pr H 29.6 ± 11.0 0.39 1760 ± 124
20 S 3-CF3 H 352.7 ± 27.9 0.33 nd
21 S 3-OMe H 149.8 ± 18.5 0.37 nd
22 S 3-SMe H 520.4 ± 87.6 0.34 1474 ± 330
23 S 3-OCF3 H 27.8 ± 5.0 0.37 1518 ± 164
24 S 3-COMe (R)-CO2H 519.8 ± 102.0 0.30 964 ± 82
25 S 3-COMe H 185.8 ± 30.4 0.35 706 ± 47
26 S 4-COMe (R)-CO2H 271.7 ± 36.6 0.31 4266 ± 274
27 S 4-COMe H 51.0 ± 21.6 0.38 705 ± 77
28 C 3-Cl H 120.6 ± 20.7 0.35 596 ± 68
rac-29 C 3-Me CO2H 12.2 ± 3.8 0.40 73 ± 3
(S)-29 C 3-Me (S)-CO2H 11.1 ± 3.9 0.40 128 ± 15
(R)-29 C 3-Me (R)-CO2H 6.4 ± 3.9 0.41 91 ± 9
30 C 3-Me H 8.8 ± 1.8 0.46 200 ± 16
31 C 4-Cl H 16.2 ± 3.1 0.44 337 ± 28
rac-32 C 4-Me CO2H 7.5 ± 1.7 0.41 96 ± 5
(S)-32 C 4-Me (S)-CO2H 16.7 ± 3.0 0.39 149 ± 6
(R)-32 C 4-Me (R)-CO2H 5.4 ± 1.7 0.42 82 ± 4
33 C 4-Me H 16.4 ± 1.9 0.44 219 ± 21
a

nd = not determined.