NADPH → HCID 70655293, compound

Participants

Reaction Steps

(2R)-1,1,1-trifluoro-2-(4-((2S)-2-(2-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2R)-2-(2-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2S)-2-(2-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol. 1H NMR (400 MHz, CD3OD) δ 7.86 (d, J=4.9 Hz, 1H), 7.64-7.54 (m, 1H), 7.45 (d, J=8.8 Hz, 2H), 7.32 (t, J=7.6 Hz, 1H), 7.26-7.16 (m, 2H), 7.14-6.93 (m, 4H), 4.29-4.18 (m, 1H), 3.87-3.76 (m, 1H), 3.61-3.48 (m, 2H), 3.41 (dt, J=3.5, 12.0 Hz, 1H), 3.13-3.01 (m, 1H), 2.85 (dd, J=3.8, 13.2 Hz, 1H), 2.62-2.49 (m, 2H), 1.69 (s, 3H). m/z (ESI, +ve ion) 529.0 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.515 μM; GK-GKRP EC50 (LC MS/MS)=0.850 μM.

Provenance & Evidence