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. Author manuscript; available in PMC: 2023 Mar 29.
Published in final edited form as: J Med Chem. 2023 Jan 25;66(3):2116–2142. doi: 10.1021/acs.jmedchem.2c01894

Table 1.

Chemical Structures of Dihydrothiazepine Derivatives 5a–v and Their IC50 against C. trachomatis Serovar L2a

graphic file with name nihms-1879530-t0015.jpg
compound R1 R2 R3 IC50 (μg/mL)b,c
5a CN H H 1.61 ± 0.11
5b OCH3 H H 3.32 ± 0.51
5c F CH3 H 4.69 ± 1.20
5d H Cl H 4.79 ± 0.19
5e H CF3 H 5.18 ± 1.67
5f H NO2 H 6.35 ± 0.70
5g Cl H Cl 6.37 ± 0.67
5h H H Cl 6.59 ± 0.18
H H CH3 6.72 ± 0.58
5j H H OC(O)CH3 7.18 ± 0.50
5k H H OCF3 7.44 ± 0.30
5l H H Br 7.50 ± 1.01
5m H CN H 9.00 ± 1.15
5n H H NO2 9.01 ± 0.25
5o H H CN 10.21 ± 1.47
5P H H OH 14.41 ± 2.76
5q H H OCH3 14.69 ± 1.26
334 H OH H 16.53 ± 0.65
6a H H NH2 17.63 ± 0.43
5s H H OCH2Ph 22.76 ± 0.34
5t H H CO2H NI
5u CO2H H H NI
5v H H Ph NI
a

IC50 indicates 50% inhibition of control Chlamydia inclusions. NI: no inhibition seen at the tested concentration range (25–0.39 μg/ mL).

b

All assays were performed in triplicate.

c

IC50 values are also presented in μM and pIC50 units in Table S1. The presented data corresponds to mean ± standard deviation (SD).