HCID 68758997, 화합물 → (S)-2-(4-chlorophenyl)-1-(4-(5-isopropoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]([C:21]([N:23]2[CH2:28][CH2:27][N:26]([C:29]3[C:34]([O:35][CH:36]([CH3:38])[CH3:37])=[CH:33][N:32]=[C:31]4[NH:39][CH:40]=[CH:41][C:30]=34)[CH2:25][CH2:24]2)=[O:22])[CH2:9][N:10]([CH:18]([CH3:20])[CH3:19])C(=O)OC(C)(C)C)=[CH:4][CH:3]=1>C(O)(C(F)(F)F)=O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([CH2:9][NH:10][CH:18]([CH3:20])[CH3:19])[C:21]([N:23]2[CH2:28][CH2:27][N:26]([C:29]3[C:34]([O:35][CH:36]([CH3:38])[CH3:37])=[CH:33][N:32]=[C:31]4[NH:39][CH:40]=[CH:41][C:30]=34)[CH2:25][CH2:24]2)=[O:22])=[CH:4][CH:3]=1참가 물질
3
실험 절차
(S)-tert-Butyl 2-(4-chlorophenyl)-3-(4-(5-isopropoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-oxopropyl(isopropyl)carbamate (30 mg, 0.051 mmol) in TFA (3 mL) was stirred for 30 minutes and then concentrated to dryness. The resulting residue was dissolved in minimal DCM (0.2 mL) and added to 2N HCl in ether. The resulting solid was filtered and dried under nitrogen to yield (S)-2-(4-chlorophenyl)-1-(4-(5-isopropoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one (15 mg, 60% yield) hydrochloride as a solid. 1H NMR (400 MHz, DMSO-d6) δ 12.30 (s, 1H), 9.23 (s, 1H), 8.56 (s, 1H), 7.99 (s, 1H), 7.51-7.47 (m, 2H), 7.44-7.39 (m, 3H), 6.69 (s, 1H), 4.76 (m, 1H), 4.43 (m, 1H), 3.85-3.50 (m, 7H), 3.47-3.40 (m, 1H), 3.35-3.27 (m, 1H), 3.23-3.15 (m, 1H), 3.05-2.98 (m, 1H), 1.28-1.20 (m, 12H); m/z (ESI pos) 484.4 (100%) [M].