1,1-Dimethylethyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl-carbamate → (2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4-(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride

HRID 1008506

반응식

HRID 1008506 반응식
[ClH:1].[NH2:2][C:3]1[C:12]2[C:7](=[CH:8][C:9]([CH2:13][CH:14]([NH:23][C:24](=[O:45])[CH2:25][NH:26][S:27]([C:30]3[C:31]([CH3:44])=[C:32]([CH3:43])[C:33]4OC(C)(C)CC[C:34]=4[C:41]=3[CH3:42])(=[O:29])=[O:28])[C:15](=[O:22])[N:16]3[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]3)=[CH:10][CH:11]=2)[CH:6]=[CH:5][N:4]=1.NC1C2C(=CC(CC(NC(=O)OC(C)(C)C)[C:59](=[O:66])N3CCCCC3)=CC=2)C=CN=1.[N:75]1([C:81](=[O:102])[CH2:82][C@H](NS(C2C(C)=CC(OC)=C(C)C=2C)(=O)=O)C(O)=O)[CH2:80][CH2:79][O:78][CH2:77][CH2:76]1>>[ClH:1].[NH2:2][C:3]1[C:12]2[C:7](=[CH:8][C:9]([CH2:13][CH:14]([NH:23][C:24](=[O:45])[C@@H:25]([NH:26][S:27]([C:30]3[C:41]([CH3:42])=[CH:34][C:33]([O:66][CH3:59])=[C:32]([CH3:43])[C:31]=3[CH3:44])(=[O:28])=[O:29])[CH2:82][C:81]([N:75]3[CH2:80][CH2:79][O:78][CH2:77][CH2:76]3)=[O:102])[C:15](=[O:22])[N:16]3[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]3)=[CH:10][CH:11]=2)[CH:6]=[CH:5][N:4]=1

참가 물질

4

반응물 3

HCID 226656071,1-Dimethylethyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl-carbamateHCID 22665631HCID 22665631, 화합물HCID 86758418HCID 86758418, 화합물

생성물 1

HCID 86758416(2S)-N-[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-4-(4-morpholinyl)-4-oxo-2-[(4-methoxy-2,3,6-trimethylphenylsulfonyl)amino]butanamide hydrochloride

실험 절차

The procedure described for 5c was used. Deprotection of 5a and coupling with 51a yielded after purification the title compound (79%) as a mixture of diastereomers (1:1). 1H-NMR 200 MHz (CD3OD) δ: 1.30-1.51 (6H, m), 2.14 (3H, s), 2.51 and 2.53 (3H, 2× s), 2.63 (3H, s), 2.31-3.62 (16H, m), 3.84 and 3.86 (3H, 2× s), 3.99-4.15 (1H, m), 5.08-5.21 (1H, m), 6.75 and 6.76 (1H, 2× s), 7.18-7.25 (1H, m), 7.52-7.81 (3H, m), 8.25-8.37 (1H, m).

후처리

  1. customyielded
  2. customafter purification the title compound (79%)
  3. additionas a mixture of diastereomers (1:1)

출처 및 근거

ORD 기록
ord-07d927c2b7da4f658a3a6e7decae3f67
출처 데이터셋
uspto-grants-2004_09
특허 번호
US06797710B2

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