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. Author manuscript; available in PMC: 2017 Feb 25.
Published in final edited form as: J Med Chem. 2015 Jul 6;59(4):1440–1454. doi: 10.1021/acs.jmedchem.5b00405

Table 2.

Structure-Activity Relationships for Improved In-vitro, Cellular Potencies and Solubility

graphic file with name nihms-743491-f0012.jpg
Cmpd R X TRIM-24 IC50 (μM)a Cell EC50b (μM)a Solubilityc (μM)
6 Benzyl A 2.0 ± 0.93 (6) >33 (4) nt
7a Benzyl A 0.22 ± 0.041 (5) 6.2 ± 2.0 (4) 59
7b Benzyl B 0.14 ± 0.056 (29) 3.9 ± 0.87 (13) 0.6
7c Benzyl C 0.27 ± 0.094 (6) 4.9 ± 1.3 (4) nt
7d Et C 0.18 ± 0.045 (5) 2.3 ± 1.1 (4) 74
7e n-propyl B 0.043 ± 0.0037 (6) 0.83 ± 0.17 (7) 1.1
7f n-propyl C 0.053 ± 0.015 (9) 0.95 ± 0.31 (9) 62
7g CH2CH(Me)2 C 0.057 ± 0.016 (65) 1.3 ± 0.27 (53) 87
7h n-Butyl C 0.16 ± 0.055 (4) 3.0 ± 0.81 (5) nt
7i CH2CH(Me)2 D 0.11 ± 0.023 (7) 5.0 ± 0.53 (7) 0.78
7j CH2CH(Me)2 H 2.4 ± 1.6 (11) >36 (5) 2.6
7k (CH2)3OMe C 0.13 ± 0.035 (5) 2.7 ± 0.36 (6) 100
71 CH2(tetrahydro-furan-3-yl) A 0.10 ± 0.038 (5) 1.9 ± 0.41 (5) 77
7m (CH2)4NMe2 B 0.27 ± 0.12 (4) 3.2 ± 0.44 (2) 66
a

Mean ± SEM (number of measurements)

b

TRIM24 AlphaLisa assay in HeLa cells

c

Kinetic solubility in phosphate buffer pH = 7.0.

nt = not tested