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-ethyl-7-fluoro-5-methyl-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-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-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 0.71-0.95 (m, 1 H) 0.89 (t, J=7.3 Hz, 3 H) 1.07-1.92 (m, 12 H) 2.29 (s, 3 H) 3.03 (t, J=7.1 Hz, 2 H) 3.26 (s, 3 H) 3.51-3.76 (m, 1 H) 3.58 (t, J=7.2 Hz, 2 H) 3.76-3.87 (m, 1 H) 3.95 (s, 3 H) 4.44 (m, 1 H) 7.49 (d, J=8.3 Hz, 1 H) 7.52 (s, 1 H) 7.78 (s, 1 H) 8.11 (s, 1 H) 8.33 (d, J=8.6 Hz, 1 H) 8.63 (d, J=6.8 Hz, 1 H). [M+H] calc'd for C28H38FN7O3, 540; found 540.

Provenance & Evidence