3-(6-(Methylcarbamoyl)pyridin-3-yl)propanoic acid → 5-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

反応式

[CH3:1][NH:2][C:3]([C:5]1C=[CH:9][C:8]([CH2:11][CH2:12][C:13]([OH:15])=O)=[CH:7][N:6]=1)=[O:4].[NH2:16][CH2:17][C:18]([N:20]([C:22]1[CH:27]=[CH:26][C:25]([Cl:28])=[C:24]([CH2:29][O:30][C:31]2[C:39]3[N:38]=[C:37]([O:40][CH3:41])[N:36]([CH2:42][C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][N:44]=4)[C:35]=3[CH:34]=[CH:33][CH:32]=2)[C:23]=1[Cl:49])[CH3:21])=[O:19].ClC1C(COC2C3N=C(OC)[N:64](CC4C=CC=CN=4)C=3C=CC=2)=C(Cl)C=CC=1N(C)C(=O)CNC(=O)CCC1C=CC(C(NCCOC)=O)=CC=1>>[Cl:49][C:23]1[C:24]([CH2:29][O:30][C:31]2[C:39]3[N:38]=[C:37]([O:40][CH3:41])[N:36]([CH2:42][C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][N:44]=4)[C:35]=3[CH:34]=[CH:33][CH:32]=2)=[C:25]([Cl:28])[CH:26]=[CH:27][C:22]=1[N:20]([CH3:21])[C:18](=[O:19])[CH2:17][NH:16][C:13](=[O:15])[CH2:12][CH2:11][CH:8]1[CH2:7][NH:6][C:5]([C:3]([NH:2][CH3:1])=[O:4])=[N:64][CH2:9]1

参加物

反応物 3

HCID 667602213-(6-(Methylcarbamoyl)pyridin-3-yl)propanoic acid

HCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide

HCID 667609784-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-(2-methoxyethyl)benzamide

生成物 1

HCID 667612225-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

実験手順

3-(2-methylcarbamoyl-pyridine-5-yl)-propionic acid and 2-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide were coupled as described for compound 1. MS (APCI) 695 (M+), 1HNMR (400 MHz, MeOD) δ 1.57-1.69 (m, 3H), 2.31 (m, 2H), 2.78 (s, 3H), 2.98 (m, 2H), 3.19 (s, 3H), 3.34-3.824 (m, 4H), 4.30 (s, 3H), 5.30 (s, 2H), 5.55 (m, 2H), 6.83 (m, 2H), 7.05 (m, 2H), 7.30 (m, 1H), 7.57 (m, 2H), 7.63 (m, 1H), 8.49 (d, 1H). C33H36Cl2N8O5+0.4 H2O, Calculated: C, 56.4; H, 5.28; N, 15.94. Found: C, 56.4; H, 5.35; N, 15.90.

出典と根拠

ORDレコード: ord-1b4a2aa08f764569be0c14f66dc279ab
出典データセット: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
特許番号: US08252793B2

反応ノート

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