Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 25252768, Verbindung

HRID 914159Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 914159
[CH:1]1([N:7]2[CH2:13][C:12]([F:15])([CH3:14])[C:11](=[O:16])[N:10]([CH3:17])[C:9]3[CH:18]=[N:19][C:20]([NH:22][C:23]4[CH:31]=[CH:30][C:26]([C:27](O)=[O:28])=[CH:25][C:24]=4[O:32][CH3:33])=[N:21][C:8]2=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CN(C(ON1N=[N:49][C:44]2[CH:45]=C[CH:47]=[N:48][C:43]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.CN1CC(N)C1>>[CH:1]1([N:7]2[CH2:13][C:12]([F:15])([CH3:14])[C:11](=[O:16])[N:10]([CH3:17])[C:9]3[CH:18]=[N:19][C:20]([NH:22][C:23]4[CH:31]=[CH:30][C:26]([C:27]([NH:49][CH:44]5[CH2:43][N:48]([CH3:47])[CH2:45]5)=[O:28])=[CH:25][C:24]=4[O:32][CH3:33])=[N:21][C:8]2=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1

Komponenten

4

Edukt 3

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 57955535HCID 57955535, VerbindungHCID 670505831-Methylazetidin-3-amine xhydrochloride

Produkt 1

HCID 25252768HCID 25252768, Verbindung

Versuchsvorschrift

The title compound was synthesized from 4-(9-cyclohexyl-7-fluoro-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 1-methylazetidin-3-amine hydrochloride. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.39 (m, 2H) 1.62-2.06 (m, 14H), 2.29 (s, 1H) 2.50 (s, 3H) 3.25 (t, J=6.3 Hz, 2H) 3.47 (s, 3H) 3.80 (t, J=6.6 Hz, 2H) 3.88-4.09 (m, 2H) 4.16 (s, 3H) 4.52-4.77 (m, 1H) 7.70 (d, J=8.3 Hz, 1H) 8.00 (s, 1H). [M+H] calc'd for C27H36FN7O3, 526. found 526.

Aufarbeitung

  1. customas described in the General procedure for amide bond synthesis
  2. customThe final compound was purified by reverse phase HPLC
  3. customto give the free base

Quellen und Nachweise

ORD-Eintrag
ord-94f7100421d3423c9e180f6e94c99d26
Quelldatensatz
uspto-grants-2011_09
Patentnummer
US08026234B2

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