NADPH → HCID 66582544, compound

Participants

Reaction Steps

(2R)-2-(4-((2S)-2-((2,2-dimethyl-4-morpholinyl)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol; (2S)-2-(4-((2R)-2-((2,2-dimethyl-4-morpholinyl)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol; (2S)-2-(4-((2S)-2-((2,2-dimethyl-4-morpholinyl)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol. 1H NMR (400 MHz, DMSO-d6) δ 8.07-8.05 (m, 1H), 7.68-7.66 (m, 1H), 7.37-7.35 (m, 2H), 7.32-7.29 (m, 1H), 6.88-6.86 (m, 2H), 4.15-4.12 (m, 1H), 3.91-3.88 (m, 1H), 3.46-3.42 (m, 4H), 3.13-3.07 (m, 1H), 2.60-2.55 (m, 1H), 2.49-2.38 (m, 3H), 2.27-2.22 (m, 1H), 2.16-2.05 (m, 3H), 1.61 (s, 3H), 1.11 (s, 3H), 1.07 (s, 3H). m/z (ESI, +ve ion) 548.2 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.182 μM; GK-GKRP EC50 (LC MS/MS)=0.295 μM.

Provenance & Evidence