Analysis data for probe TP-021 and control TP-021n
TP-021
| 1H NMR (500 MHz, DMSO-d6) | δ 10.14 (s, 1H), 8.45 (s, 1H), 8.07 (s, 1H), 7.16 (d, J = 2.4 Hz, 1H), 7.11 (dd, J = 8.4, 2.4 Hz, 1H), 6.88 (d, J = 8.4 Hz, 1H), 6.55 (s, 1H), 4.51 (m, J = 7.3, 3.6 Hz, 1H), 3.77 (m, J = 11.0, 7.0, 3.5 Hz, 2H), 3.44 (m, J = 11.2, 7.3, 3.5 Hz, 2H), 2.86 (t, J = 7.5 Hz, 2H), 2.48 – 2.43 (t/m, 2H), 1.87 (m, J = 13.8, 6.9, 3.5 Hz, 2H), 1.61 (m, J = 13.9, 7.2, 3.6 Hz, 2H) |
| 13C NMR (126 MHz, DMSO-d6) | δ 170.01, 152.07, 147.99, 135.58, 133.27, 129.36, 127.86, 124.67, 123.40, 122.70, 115.71, 110.05, 99.07, 72.95, 63.58, 30.77, 30.25, 24.81 |
TP-021n
| MS (ESI pos.) | m/z = 285.0 ([M+H]+, calcd. 285.1) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 10.66 – 10.60 (m, 2H), 8.18 (s, 1H), 7.84 (d, 4J = 1.9 Hz, 1H), 7.46 (dd, J = 8.8, 1.9 Hz, 1H), 6.94 (d, 3J = 8.0 Hz, 1H), 6.86 – 6.80 (m, 3H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 155.5, 147.1, 133.2, 132.5, 132.2, 130.5, 127.3, 118.9, 118.3, 117.3, 113.1, 108.9, 105.7, 98.8 ppm |
| HPLC | tR = 5.557 min; purity: ≥95% |