Hydrochloric Acid → HCID 67812950, compound

Participants

Reaction Steps

A solution of 1-(4-(tert-butyl)phenyl)-3-(3-((((2R,3S,4R,5R)-5-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)amino)propyl)urea (20 mg, 0.039 mmol) in methanol (0.7 mL) was added to a mixture of 0.1N HCl (0.39 mL, 0.039 mmol) and water (2.0 mL). The colorless solution was concentrated in vacuo to remove the methanol. The solution was lyophilized to yield the title compound (20 mg, 93%) as a white solid: 1H NMR (400 MHz, D2O) ppm 8.02 (s, 1H), 7.33 (d, J=3.73 Hz, 1H), 7.21 (d, J=8.09 Hz, 2H), 6.90 (d, J=8.09 Hz, 2H), 6.69 (d, J=3.73 Hz, 1H), 6.13 (d, J=4.56 Hz, 1H), 4.47 (m, 2H), 4.24 (t, J=5.39 Hz, 1H), 3.67 (m, 1H), 3.54 (d, J=12.02 Hz, 1H), 3.33 (m, 1H), 3.22 (m, 1H), 3.11 (m, 1H), 2.94 (s, 3H), 1.90 (m, 2H), 1.20 (s, 9H); MS (ESI+) for C26H37N7O4 m/z 512.3 (M+H)+; (ESI−) for C26H37N7O4 m/z 510.2 (M−H)−; HPLC purity 97% (ret. time, 2.82 min). IC50<10 nM.

Provenance & Evidence