4-(2,6,6-Trimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-ylboronic acid → 2-amino-N-[(3R)-1-methylpyrrolidin-3-yl]-5-[4-(2,6,6-trimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]pyridine-3-sulfonamide

HRID 241142

Reaktionsgleichung

Reaktionsgleichung von HRID 241142
[NH2:1][C:2]1[C:7]([S:8]([NH:11][C@H:12]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13]2)(=[O:10])=[O:9])=[CH:6][C:5](Br)=[CH:4][N:3]=1.[CH3:19][C:20]1[N:29]=[C:28]([N:30]2[CH2:36][C:35]3[CH:37]=[C:38](B(O)O)[CH:39]=[CH:40][C:34]=3[O:33][CH2:32][CH2:31]2)[C:27]2[CH2:26][C:25]([CH3:45])([CH3:44])[CH2:24][CH2:23][C:22]=2[N:21]=1>>[NH2:1][C:2]1[C:7]([S:8]([NH:11][C@@H:12]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13]2)(=[O:10])=[O:9])=[CH:6][C:5]([C:38]2[CH:39]=[CH:40][C:34]3[O:33][CH2:32][CH2:31][N:30]([C:28]4[C:27]5[CH2:26][C:25]([CH3:44])([CH3:45])[CH2:24][CH2:23][C:22]=5[N:21]=[C:20]([CH3:19])[N:29]=4)[CH2:36][C:35]=3[CH:37]=2)=[CH:4][N:3]=1

Komponenten

3

Edukt 2

HCID 668200184-(2,6,6-Trimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-ylboronic acidHCID 66820170(S)-2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)pyridine-3-sulfonamide

Produkt 1

HCID 595864742-amino-N-[(3R)-1-methylpyrrolidin-3-yl]-5-[4-(2,6,6-trimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]pyridine-3-sulfonamide

Versuchsvorschrift

Synthesized according to the method of example 5 using (S)-2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)pyridine-3-sulfonamide (reagent preparation 25) and [4-(2,6,6-trimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]boronic acid (reagent preparation 23) in step 1. 1H NMR (400 MHz, d6-DMSO): 8.52 (d, 1H), 8.07 (d, 1H), 7.61 (d, 1H), 7.45 (dd, 1H), 7.02 (d, 1H), 6.68 (br s, 2H), 4.57 (s, 2H), 4.25 (br t, 2H), 3.82 (br m, 2H), 3.63 (br m, 1H), 2.65 (t, 2H), 2.43 (m, 4H), 2.33 (s, 3H), 2.22 (br m, 2H), 2.13 (s, 3H), 1.84 (s, 5H), 1.57 (t, 2H), 1.45 (m, 1H), 0.83 (s, 6H); MS (EI) for C30H39N7O3S: 578 (MH+).

Aufarbeitung

  1. customSynthesized

Quellen und Nachweise

ORD-Eintrag
ord-2b09936e88f545f8b6a3b60c5b4203e2
Quelldatensatz
uspto-grants-2014_02
Patentnummer
US08648066B2

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