NADPH → HCID 70655997, compound

Participants

Reaction Steps

(2R)-1,1,1-trifluoro-2-(4-((2S)-2-((1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-ylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2R)-2-((1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-ylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol; (2S)-1,1,1-trifluoro-2-(4-((2S)-2-((1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-ylmethyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol. 1H NMR (400 MHz, CD3OD) δ 7.90 (dd, J=1.0, 5.1 Hz, 1H), 7.67 (d, J=3.5 Hz, 1H), 7.47 (t, J=8.1 Hz, 2H), 7.28 (dd, J=3.8, 5.0 Hz, 1H), 6.99-6.87 (m, 2H), 4.38-4.36 (m, 1H), 4.05-3.90 (m, 2H), 3.80-3.71 (m, 2H), 3.60-3.44 (m, 3H), 3.27-3.20 (m, 1H), 3.06-3.02 (m, 2H), 2.76-2.51 (m, 3H), 2.40-2.38 (m, 1H), 1.84-1.64 (s, 5H). m/z (ESI, +ve ion) 532.2 (M+H)+. GK-GKRP EC50 (NADPH-coupled)=0.670 μM; GK-GKRP EC50 (LC MS/MS)=0.880 μM.

Provenance & Evidence