| Description | Deoxyvasicinone derivatives can be considered as promising lead molecules for the development of more potent inhibitors of NEDD8-activating enzyme. |
| In vitro | A pharmacophore model constructed from a training set of Deoxyvasicinone derivatives was used to screen 376 compounds from an analogue database. From the initial screening, the valine-linked Deoxyvasicinone derivative 9 and the N-isopropyl-linked Deoxyvasicinone derivative 10 emerged as the top scoring candidates. Compounds 9 and 10 showed micromolar potencies in both cell-free and cell-based systems, with selectivity for NAE over the related enzymes SAE and UAE. Molecular modelling analysis suggested that 9 and 10 may inhibit NAE by blocking the ATP-binding domain. |
| Synonyms | 脱氧鸭嘴花酮碱 |
| molecular weight | 186.214 |
| Molecular formula | C11H10N2O |
| CAS | 530-53-0 |
| Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice. |
| References | 1. Discovery of deoxyvasicinone derivatives as inhibitors of NEDD8-activating enzyme.Methods. 2015 Jan;71:71-6. |