NADPH → HCID 86670335, compound

Participants

Reaction Steps

(2R)-1,1,1-trifluoro-2-(4-((2S)-2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol trifluoroacetate; (2S)-1,1,1-trifluoro-2-(4-((2R)-2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol trifluoroacetate; (2S)-1,1,1-trifluoro-2-(4-((2S)-2-(4-pyridinylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol trifluoroacetate. 1H NMR (300 MHz, CD3OD) δ 8.61 (d, J=6.4 Hz, 2H), 7.80-7.93 (m, 3H), 7.62 (dd, J=3.8, 1.2 Hz, 1H), 7.43 (d, J=8.6 Hz, 2H), 7.20-7.29 (m, 1H), 6.95 (d, J=8.9 Hz, 2H), 4.48 (s, 1H), 3.86 (s, 1H), 3.45-3.63 (m, 3H), 3.34-3.45 (m, 1H), 3.16 (dd, J=13.0, 5.7 Hz, 1H), 2.53-2.71 (m, 2H), 1.67 (s, 3H). m/z (ESI, +ve ion) 512.2 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.207 μM; GK-GKRP EC50 (LC MS/MS)=0.522 μM.

Provenance & Evidence