6-Methylnicotinic acid → N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-6-methyl-nicotinamide

HRID 2386519

반응식

HRID 2386519 반응식
[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][NH:10][C:11]2[N:16]=[C:15]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([CH2:23][NH:24][CH:25]([CH3:27])[CH3:26])[CH:18]=3)[CH:14]=[CH:13][N:12]=2)[CH:5]=[CH:4][C:3]=1[OH:28].[CH3:29][C:30]1[CH:38]=[CH:37][C:33]([C:34](O)=[O:35])=[CH:32][N:31]=1>>[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][NH:10][C:11]2[N:16]=[C:15]([C:17]3[CH:18]=[C:19]([CH:20]=[CH:21][CH:22]=3)[CH2:23][N:24]([CH:25]([CH3:26])[CH3:27])[C:34](=[O:35])[C:33]3[CH:37]=[CH:38][C:30]([CH3:29])=[N:31][CH:32]=3)[CH:14]=[CH:13][N:12]=2)[CH:5]=[CH:4][C:3]=1[OH:28]

참가 물질

3

반응물 2

HCID 1378606-Methylnicotinic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol2회

생성물 1

HCID 58603676N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-6-methyl-nicotinamide

실험 절차

2-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol (compound 132) was coupled with 6-methyl-nicotinic acid following procedure D2. LC-MS showed the product had the expected M+H+ of 516. 1H NMR (Varian 300 MHz, CDCl3, shifts relative to the solvent peak at 7.24 ppm) δ 9.3 (s, 1H)) 8.3 (m, 2H) 8.2 (s, 1H) 8.0 (d, 2H) 7.6 (d, 1H) 7.4 (m, 2H) 7.3 (d, 1H) 7.2 (s, 1H) 7.0 (d, 1H) 5.4 (s, br, 1H) 3.9 (s, 2H) 3.7 (m, 2H) 3.1 (m, 1H) 2.9 (m, 2H) 2.7 (s, 3H) 1.3 (d, 6H).

출처 및 근거

ORD 기록
ord-abf940e0b7e9482aa472631f9055dcd4
출처 데이터셋
uspto-grants-2012_09
특허 번호
US08268822B2

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