Analysis data for probe MSD-M1PAM and control MSD-M1PAM-NC
MSD-M1PAM
| MS (ESI pos.) | m/z = 389.1 ([M+H]+, calcd. 389.2) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 9.17 (d, 3J = 8.3 Hz, 1H), 8.59 (dt, J = 4.9, 1.4 Hz, 1H), 8.28 (s, 1H), 8.06 (d, 3J = 8.5 Hz, 1H), 7.87 (td, J = 7.7, 1.9 Hz, 1H), 7.64 (t, 3J = 7.7 Hz, 1H), 7.59 (d, 3J = 7.6 Hz, 1H), 7.40 – 7.35 (m, 1H), 7.26 (t, 3J = 7.8 Hz, 1H), 3.72 (s, 2H), 3.06 – 2.93 (m, 2H), 2.43 – 2.32 (m, 2H), 2.15 – 2.01 (m, 4H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 168.3, 158.1, 156.6, 149.4, 142.5, 141.7, 137.8, 130.7, 127.9, 123.4, 122.9, 121.7, 120.3, 116.8, 115.9, 108.5, 58.2, 49.8, 44.4, 34.5 ppm |
| HPLC | tR = 0.644, 3.334 min; purity: ≥95% |
MSD-M1PAM-NC
| MS (ESI pos.) | m/z = 442.2 ([M+H]+, calcd. 442.2) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 9.20 (d, 3J = 7.2 Hz, 1H), 8.61 – 8.58 (m, 1H), 8.16 (d, 3J = 9.0 Hz, 1H), 7.88 (td, J = 7.8, 1.8 Hz, 1H), 7.82 (s, 1H), 7.80 – 7.75 (m, 1H), 7.60 (d, 3J = 8.0 Hz, 1H), 7.41 – 7.36 (m, 2H), 3.76 (s, 2H), 3.46 (t, 3J = 6.9 Hz, 2H), 3.37 (t, 3J = 6.6 Hz, 2H), 3.00 (d, 3J = 12.2 Hz, 2H), 2.44 – 2.35 (m, 2H), 2.17 – 2.03 (m, 4H), 1.91 – 1.75 (m, 4H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 165.8, 158.0, 153.4, 149.4, 142.5, 139.9, 137.8, 132.0, 128.0, 123.4, 121.7, 120.3, 116.8, 114.5, 109.0, 57.8, 49.7, 46.3, 45.8, 44.4, 34.5, 25.5, 24.0 ppm |
| HPLC | tR = 0.641, 3.289 min; purity: ≥95% |