NADPH → HCID 70655524, compound

Participants

Reaction Steps

(2R)-1,1,1-trifluoro-2-(4-((2S)-4-(phenylsulfonyl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2R)-4-(phenylsulfonyl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2S)-4-(phenylsulfonyl)-2-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl)phenyl)-2-propanol. 1H NMR (400 MHz, CD3OD) δ 7.83 (s, 2H), 7.65 (s, 3H), 7.44 (d, J=8.8 Hz, 2H), 6.89 (d, J=9.0 Hz, 2H), 4.06 (m, 1H), 3.92-3.82 (m, 2H), 3.80-3.72 (m, 1H), 3.67 (d, J=11.5 Hz, 1H), 3.47-3.37 (m, 1H), 3.31-3.19 (m, 1H), 2.65 (dd, J=3.1, 11.5 Hz, 1H), 2.51 (dt, J=3.6, 11.4 Hz, 1H), 1.83-1.73 (m, 1H), 1.68 (s, 4H), 1.60-1.49 (m, 2H), 1.40-1.03 (m, 5H). m/z (ESI, +ve ion) 513.0 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.785 μM; GK-GKRP EC50 (LC MS/MS)=0.572 μM.

Provenance & Evidence