Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → 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-methoxy-N-(1-methylazetidin-3-yl)benzamide

Participants

Reaction Steps

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, 2 H) 1.62-2.06 (m, 14 H), 2.29 (s, 1 H) 2.50 (s, 3 H) 3.25 (t, J=6.3 Hz, 2 H) 3.47 (s, 3 H) 3.80 (t, J=6.6 Hz, 2 H) 3.88-4.09 (m, 2 H) 4.16 (s, 3 H) 4.52-4.77 (m, 1 H) 7.70 (d, J=8.3 Hz, 1 H) 8.00 (s, 1 H). [M+H] calc'd for C27H36FN7O3, 526; found 526.

Provenance & Evidence