NADPH → HCID 70655394, compound

Participants

Reaction Steps

(2R)-1,1,1-trifluoro-2-(4-((2S)-2-(3-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2R)-2-(3-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2S)-2-(3-fluorobenzyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol. 1H NMR (400 MHz, CD3OD) δ 7.86 (dd, J=1.2, 5.1 Hz, 1H), 7.64-7.59 (m, 1H), 7.55-7.48 (m, 2H), 7.36-7.15 (m, 2H), 7.11-6.77 (m, 5H), 4.17-4.09 (m, 1H), 3.84 (d, J=10.0 Hz, 1H), 3.61 (d, J=11.3 Hz, 1H), 3.55-3.43 (m, 1H), 3.42-3.34 (m, 1H), 3.19-3.04 (m, 1H), 2.69-2.48 (m, 3H), 1.70 (s, 3H). m/z (ESI, +ve ion) 529.0 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.802 μM; GK-GKRP EC50 (LC MS/MS)=1.09 μM.

Provenance & Evidence