4-(4-Methylpiperazin-1-yl)aniline → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-N-(4-(4-methylpiperazin-1-yl)phenyl)benzamide

HRID 914236

반응식

HRID 914236 반응식
[CH:1]1([N:6]2[CH2:12][C:11]([F:14])([F:13])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[C:30]([O:31][CH3:32])=[CH:29][C:25]([C:26]([OH:28])=O)=[C:24]([F:33])[CH:23]=4)=[N:20][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:34][N:35]1[CH2:40][CH2:39][N:38]([C:41]2[CH:47]=[CH:46][C:44]([NH2:45])=[CH:43][CH:42]=2)[CH2:37][CH2:36]1>>[CH:1]1([N:6]2[CH2:12][C:11]([F:13])([F:14])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[C:30]([O:31][CH3:32])=[CH:29][C:25]([C:26]([NH:45][C:44]5[CH:43]=[CH:42][C:41]([N:38]6[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]6)=[CH:47][CH:46]=5)=[O:28])=[C:24]([F:33])[CH:23]=4)=[N:20][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1

참가 물질

3

실험 절차

The title compound was prepared in a manner analogous to compound 149 from 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid and 4-(4-methylpiperazin-1-yl)aniline with yield 82 mg (53%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.61 (br. s., 4H) 1.73 (br. s., 2H) 1.99 (br. s., 2H) 2.22 (s, 3H) 2.45 (br. s., 4H) 3.09 (br. s., 4H) 3.94 (s, 3H) 4.08 (t, J=13.89 Hz, 2H) 4.84 (br. s., 1H) 6.91 (d, J=8.84 Hz, 2H) 7.26 (d, J=6.32 Hz, 1H) 7.56 (d, J=8.59 Hz, 2H) 8.08 (s, 1H) 8.18-8.41 (m, 2H) 9.91 (br. s., 1H). [M+H] calc'd for C32H37F3N8O3, 639. found 639.

출처 및 근거

ORD 기록
ord-ed719b1fb08e489a8dc151bfb25f64a7
출처 데이터셋
uspto-grants-2011_09
특허 번호
US08026234B2

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