Compound 8
6-[4-[4-[2-[(2S)-2,4-dimethyl-3-oxo-piperazin-1-yl]ethoxy]phenyl]-1-piperidyl]-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
From: Potent and selective bivalent inhibitors of BET bromodomains
Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.
1H NMR (700 MHz, DMSO-d6) δ 1.23 (d, J=6.8 Hz, 3H), 1.63 (qd, J=12.7, 12.7, 12.7, 4.0 Hz, 2H), 1.8 – 1.87 (m, 2H), 2.63 – 2.78 (m, 3H), 2.80 (s, 3H), 2.89 – 2.93 (m, 1H), 2.96 (td, J=13.0, 12.8, 2.5 Hz, 2H), 3.06 (dt, J=10.6, 5.1, 5.1 Hz, 1H), 3.14 (q, J=6.8, 6.8, 6.8 Hz, 1H), 3.2 – 3.28 (m, 2H), 3.51 (s, 3H), 4.04 (t, J=5.9, 5.9 Hz, 2H), 4.24 (dt, J=13.1, 2.3, 2.3 Hz, 2H), 6.87 (d, J=8.7 Hz, 2H), 7.16 (d, J=8.7 Hz, 2H), 7.33 (d, J=10.3 Hz, 1H), 7.60 (d, J=10.2 Hz, 1H). 13C NMR (176 MHz, DMSO-d6, 30°C) δ 15.05, 32.48, 32.81, 33.69, 40.67, 45.90, 46.16, 47.46, 52.08, 59.68, 65.94, 114.42, 117.99, 123.90, 127.57, 135.49, 137.79, 148.17, 153.35, 156.80, 169.30.
- PubChemID:
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318127343
- MDL Molfile:
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