NADPH → HCID 70655083, compound

Participants

Reaction Steps

2-methyl-2-((((2R)-4-(2-thiophenylsulfonyl)-1-(4-((1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl)amino)-1-propanol; 2-methyl-2-((((2S)-4-(2-thiophenylsulfonyl)-1-(4-((1R)-2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl)amino)-1-propanol; 2-methyl-2-((((2S)-4-(2-thiophenylsulfonyl)-1-(4-((1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl)amino)-1-propanol. 1H NMR (400 MHz, CDCl3) δ 7.65-7.64 (m, 1H), 7.58-7.56 (m, 1H), 7.44-7.42 (d, J=8.6 Hz, 2H), 7.18-7.15 (m, 1H), 6.86-6.83 (d, J=8.6 Hz, 2H), 3.93-3.86 (m, 2H), 3.78-3.73 (m, 1H), 3.51-3.46 (m, 1H), 3.34-3.21 (m, 3H), 2.92-2.87 (m, 1H), 2.72-2.59 (m, 3H), 1.74 (s, 3H), 1.03 (s, 3H), 1.02 (s, 3H). m/z (ESI, +ve ion) 522.2 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=2.97 μM; GK-GKRP EC50 (LC MS/MS)=2.78 μM

Provenance & Evidence