4-Amino-1-methylpiperidine → 4-(9-cyclopentyl-7-fluoro-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
반응식
[CH:1]1([N:6]2[CH2:12][C:11]([F:14])([CH3:13])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[CH:30]=[CH:29][C:25]([C:26](O)=[O:27])=[CH:24][C:23]=4[O:31][CH3:32])=[N:20][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:33][N:34]1[CH2:39][CH2:38][CH:37]([NH2:40])[CH2:36][CH2:35]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[CH:1]1([N:6]2[CH2:12][C:11]([F:14])([CH3:13])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[CH:30]=[CH:29][C:25]([C:26]([NH:40][CH:37]5[CH2:38][CH2:39][N:34]([CH3:33])[CH2:35][CH2:36]5)=[O:27])=[CH:24][C:23]=4[O:31][CH3:32])=[N:20][C:7]2=3)[CH2:2][CH2:3][CH2:4][CH2:5]1참가 물질
4
반응물 3
생성물 1
실험 절차
The title compound was synthesized from 4-(9-cyclopentyl-7-fluoro-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid and 1-methylpiperidin-4-amine as described in the General procedure for amide bond synthesis using HATU. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.41-1.65 (m, 6 H) 1.65-1.86 (m, 6 H) 1.93 (d, J=3.3 Hz, 1 H) 2.07 (s, 1 H) 2.04 (d, J=13.1 Hz, 1 H) 2.81 (d, J=5.1 Hz, 1 H) 2.78 (d, J=4.6 Hz, 3 H) 2.99-3.17 (m, 2 H) 3.27 (s, 4 H) 3.48 (d, J=11.6 Hz, 2 H) 4.83 (t, J=7.8 Hz, 1 H) 7.53 (dd, J=8.3, 1.8 Hz, 1 H) 7.55 (s, 1 H) 8.08 (d, J=8.3 Hz, 1 H) 8.17 (s, 1 H) 8.43 (d, J=7.3 Hz, 1 H) 8.98 (br. s., 1 H) 9.54 (br. s., 1 H). [M+H] calc'd for C28H38FN7O3, 540; found 540.