Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 25254304, compound

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Reaction Steps

The title compound was synthesized from 4-(9-cyclohexyl-7,7-difluoro-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-N-(2,2,2-trifluoroethyl)piperidin-4-amine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.15-1.44 (m, 4 H) 1.55-1.89 (m, 10 H) 2.42 (t, J=8.0 Hz, 2 H) 2.94 (br. d., 2 H) 3.17 (q, J=10.11 Hz, 2 H) 3.31 (s, 3 H) 3.78 (m, 1 H) 3.94 (s, 3 H) 4.06 (t, J=13.39 Hz, 2 H) 7.47 (d, J=8.0 Hz, 1 H) 7.50 (s, 1 H) 7.91 (s, 1 H) 8.15 (d, J=8.02 Hz, 1 H) 8.21 (s, 1 H) 8.27 (d, J=8.34 Hz, 1 H). Melting point: 213-215° C. [M+H] calculated for C29H36F5N7O3, 626; found 626.

Provenance & Evidence