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. Author manuscript; available in PMC: 2015 Jan 23.
Published in final edited form as: Bioorg Med Chem. 2012 May 23;20(14):4451–4461. doi: 10.1016/j.bmc.2012.05.027

Table 1.

Activity and Solubility of Test Compounds

graphic file with name nihms653774t1.jpg Solubility in assay buffer K18PL ThT assay K18PL centrifugation assay
Compd number R1 R2 R3 R4 X Upper solubility limit (μM) IC50 (μM) Max % inhib. % Soluble
  26 −NH2 −H −COOEt 4-F-Ph S >200 1.0 ± 1.11   77 63
a29 −NH −H −COOEt 4-Cl-Ph S 13 4.0 ± 2.99b   71 47
  27 −NH2 −H −COOEt 2-Cl-Ph S 12.8 2.0 ± 1.42b   75 71
  28 −NH2 −H −COOEt 3-Cl-Ph S 32 3.2 ± 2.02b   82 73
  30 −NH2 −H −COOEt 4-CF3-Ph S 32 DNC   48 27
  31 −NH2 −H −COOEt 4-OCF3-Ph S 12.8 DNCb   41 29
  32 −NH2 −H −COOEt 4-OH-Ph S 12.8 5.0 ± 1.29   81 69
  33 −NH2 −H −COOEt 4-iPr-Ph S 32 DNCb     8 17
  66 −NHCH3 −H −COOEt 4-Cl-Ph S 80 DNC   39 51
  67 −NH2 −Cl −COOEt 4-Cl-Ph S 32 2.0 ± 1.53   88 65
  68 −NH2 −Br −COOEt 4-Cl-Ph S 12.8 4.0 ± 1.10   92 62
  69 −OH −OH −COOEt 4-Cl-Ph NH >200 DNC   57 15
  34 −NH2 −H −COOH 4-F-Ph S >200 2.0 ± 1.27   84 83
a37 −NH −H −COOH 4-Cl-Ph S >200 5.0 ± 2.15b   84 74
  35 −NH2 −H −COOH 2-Cl-Ph S >200 3.2 ± 1.58   86 64
  36 −NH2 −H −COOH 3-Cl-Ph S 32 1.6 ± 1.22   92 73
  38 −NH2 −H −COOH 4-CF3-Ph S >200 19.9 ± 1.10   88 83
  39 −NH2 −H −COOH 4-OCF3-Ph S >200 1.6 ± 1.53   92 71
  40 −NH2 −H −COOH 4-OH-Ph S >200 4.0 ± 1.58b   84 70
  70 −OH −H −COOH 4-F-Ph S >200 2.5 ± 1.26b   92 87
  42 −NH2 −H −CONH-iPr 4-F-Ph S >200 1.6 ± 1.39   89 77
  43 −NH2 −H −CONH-cPr 4-F-Ph S >200 2.5 ± 2.93b   88 78
  44 −NH2 −H −CONH–CH2CF3 4-F-Ph S >200 8.0 ± 1.28   83 75
  a1 −NH2 −H −CONH-cPr 4-Cl-Ph S 32 8.0 ± 2.48b   83 69
  45 −NH2 −H −CONH-cPr 2-Cl-Ph S 80 DNC   68 44
  46 −NH2 −H −CONH-iPr 3-Cl-Ph S 32 3.2 ± 2.02b   82 73
  47 −NH2 −H −CONH-cPr 4-CF3-Ph S 80 6.3 ± 2.28   64 83
  48 −NH2 −H −CONH-iPr 4-OCF3-Ph S 80 15.8 ± 1.95   67 42
  49 −NH2 −H −CONH-iPr 4-OH-Ph S >200 15.8 ± 1.38   86 84
  50 −NH2 −H −CONH-cPr 4-iPr-Ph S 80 4.0 ± 2.88   82 86
  72 −OH −H −CONH-iPr 4-Cl-Ph S ND 10.0 ± 1.25   96 85
  55 −NH2 −H −CH3 −H S >200 8.0 ± 1.87b   87 81
  56 −NH2 −H −CH3 −CH3 S >200 2.5 ± 1.19   82 76
  57 −NH2 −H −CH3 iPr S 80 19.9 ± 1.16   95 17
  58 −NH2 −H −CH3 CH2CF3 S >200 10± 1.18b   81 78
  59 −NH2 −H −CH3 Cyclohexyl S >200 31.6 ± 1.12   65 86
  60 −NH2 −H −CH3 2-Py S >200 2.0 ± 1.27   85 78
  61 −NH2 −H −CH3 3-Py S >200 4.0 ± 1.41   74 84
  62 −NH2 −H −CH3 −Bn S 80 1.6 ± 1.24   89 73
  63 −NH2 −H −CH3 4-Cl-Ph S 80 2.0 ± 1.23   85 70
  64 −NH2 −H −Ph CH2CF3 S >200 6.3 ± 1.63b 103 82
  65 −NH2 −H −Ph iPr S >200 19.9 ± 1.63b   89 92
  21 graphic file with name nihms653774t2.jpg 12.8 DNCb     4.4 21
  54 graphic file with name nihms653774t3.jpg >200 DNC   29   6.5
a

Previously reported data;7 DNC = did not calculate due to absence of asymptote; ND = not determined; all IC50 values were determined through sigmoidal curve fitting of compound concentration-response analyses, with each concentration tested in triplicate.

b

All results are from a single curve fit, except where indicated by, where the mean of 2 or more separate analyses are reported.