Pevonedistat metabolites detected and identified in plasma, urine, and feces of patients administered an intravenous dose of pevonedistat
| Pevonedistat and Metabolites | Matrix | HPLC RT (min)b | Observed [M+H]+ at m/z | Calculated [M+H]+ at m/z | Mass Error (ppm) | LC-MS/MS Key Fragment Ions | Chemical Structure |
|---|---|---|---|---|---|---|---|
| Pevonedistat | P, U, F | 45.51 | 444.1690 | 444.1700 | −2.3 | 347, 328, 231, 135, 117 | Confirmed with the standard reference |
| M1 (ML00756900)a | P, U, F | 31.49 | 460.1661 | 460.1649 | 2.6 | 442, 363, 345, 328, 249, 231, 135, 133, 115 | Confirmed with the standard reference |
| M2 (ML00756899)a | P, U, F | 39.16 | 458.1496 | 458.1493 | 0.7 | 440, 361, 328, 265, 231,135,131 | Confirmed with the standard reference |
| M3 (ML00756898)a | P, U, F | 29.25 | 460.1659 | 460.1649 | 2.2 | 442, 363, 345, 328, 231, 135, 133 | Confirmed with the standard reference |
| M7 | P, U, F | 17.29 | 328.1086 | 328.1074 | 3.7 | 328, 249, 231, 135 | Assigned by LC-HRMS |
| M10b | P, U | 22.09 | 636.1984 | 636.1970 | 2.2 | 460, 442, 363, 345, 328, 231, 135, 115 | Assigned by LC-HRMS |
| M16 | P, U | 41.44 | 620.2021 | 620.2021 | 0 | 444, 328, 231, 135, 117 | Assigned by LC-HRMS |
| M22 | P, U | 23.75 | 636.1943 | 636.1970 | −4.2 | 460, 328, 231, 135, 133 | Assigned by LC-HRMS |
| M23 | U | 12.5 | NA | NA | NA | NA | Unknown |
F, feces; LC-HRMS, liquid chromatography-high resolution mass spectrometry; NA, not available; P, plasma; RT, retention time; U, urine.
aStandard references.
bSlight retention time shift was observed between matrices, but peaks were assigned based on mass spectral data.