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. Author manuscript; available in PMC: 2020 Oct 16.
Published in final edited form as: Bioorg Med Chem. 2010 May 25;18(14):5208–5223. doi: 10.1016/j.bmc.2010.05.057

Table 3.

Effect of the 9-N-substituent on activity profiles

graphic file with name nihms-1634538-t0028.jpg
Compds R1 R2 C3 Configuration
(3R and/or 3S)		 IC50 (nM)
Ca assay		 T1/2 in rat liver
microsomesa (min)		 Calculated pKab
17 graphic file with name nihms-1634538-t0029.jpg graphic file with name nihms-1634538-t0030.jpg (3RS) 900 NTc 7.54
18 graphic file with name nihms-1634538-t0031.jpg graphic file with name nihms-1634538-t0032.jpg (3RS) 120 8.3 7.53
19 graphic file with name nihms-1634538-t0033.jpg graphic file with name nihms-1634538-t0034.jpg (3S) >3000 NTc 7.51
20 graphic file with name nihms-1634538-t0035.jpg graphic file with name nihms-1634538-t0036.jpg (3RS) >3000 NTc 4.12
21 graphic file with name nihms-1634538-t0037.jpg graphic file with name nihms-1634538-t0038.jpg (3RS) 3000 NTc 2.52
22 graphic file with name nihms-1634538-t0039.jpg graphic file with name nihms-1634538-t0040.jpg (3RS) 270 NTc 8.24
1a graphic file with name nihms-1634538-t0041.jpg graphic file with name nihms-1634538-t0042.jpg (3RS) 28 24 7.15
1b graphic file with name nihms-1634538-t0043.jpg graphic file with name nihms-1634538-t0044.jpg (3RS) 94 12 7.18
a

The data show T1/2 after incubating with the 0.2 mg/mL rat liver microsomes.

b

Calculated by ADMET predictor (ver. 4.0).

c

NT: not tested.