For research use only. Not for therapeutic Use.
DC07090 dihydrochloride is a low toxicity, potent, reversible and competitive non-peptidyl human enterovirus 71 3C protease inhibitor with an IC50 and a Ki value for 21.72 μM and 23.29 μM. DC07090 dihydrochloride could also inhibit coxsackievirus A16 (CVA16) replication with an EC50 value of 27.76 μM[1].
DC07090 dihydrochloride forms stable hydrogen-bonding interactions with the main chains of S128, G145, G164 and hydrophobic interactions with F25, L125, L127 and F170. DC07090 dihydrochloride (0.01~10 μM) shows micromolar potency against EV71 3Cpro. DC07090 dihydrochloride exhibits a highly inhibitory potency on EV71 replication with an EC50 value of 22.09 μM. DC07090 dihydrochloride inhibits CVA16 with an EC50 value of 27.76 μM[1].
| Catalog Number | I025591 |
| CAS Number | 1158264-37-9 |
| Synonyms | 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(pyridin-2-ylmethyl)aniline;dihydrochloride |
| Molecular Formula | C18H16Cl2N4O |
| Purity | ≥95% |
| InChI | InChI=1S/C18H14N4O.2ClH/c1-2-10-19-15(4-1)12-21-14-8-6-13(7-9-14)18-22-17-16(23-18)5-3-11-20-17;;/h1-11,21H,12H2;2*1H |
| InChIKey | NLHMKUDAEGGODS-UHFFFAOYSA-N |
| SMILES | C1=CC=NC(=C1)CNC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4.Cl.Cl |
| Reference | [1]. Ma GH, et al. Identification and biochemical characterization of DC07090 as a novel potent small molecule inhibitor against human enterovirus 71 3C protease by structure-based virtual screening. Eur J Med Chem. 2016 Nov 29;124:981-991. |
