Analysis data for probe PF-04554878 and control PF-00911705
PF-04554878
| MS (ESI pos.) | m/z = 511.2 ([M+H]+, calcd. 511.2) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 10.30 (s, 1H), 8.68 (d, 3J = 2.5 Hz, 1H), 8.59 (d, 3J = 2.5 Hz, 1H), 8.40 (s, 1H), 8.26 (q, 3J = 4.6 Hz, 1H), 7.90 (s, 1H), 7.67 (d, 3J = 8.7 Hz, 1H), 7.54 (d, 3J = 8.5 Hz, 2H), 5.01 (d, 3J = 5.2 Hz, 2H), 3.19 (s, 6H), 2.75 (d, 3J = 3.9 Hz, 3H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 166.1, 158.2, 157.0, 151.6, 150.7, 148.8, 143.6, 142.2, 140.9, 129.0, 127.8, 124.0 (q, 1JCF = 269.9 Hz), 119.1, 98.5 (q, 2JCF = 32.5 Hz), 42.4, 36.8, 36.1, 26.2 ppm |
| HPLC | tR = 6.391 min; purity: ≥95% |