For research use only. Not for therapeutic Use.
ML188（Cat No.:I015465）is a potent and selective small molecule inhibitor of the protein kinase TBK1 (TANK-binding kinase 1). TBK1 plays a crucial role in immune response, particularly in the activation of NF-κB and the antiviral defense mechanisms. ML188 has been identified as a valuable tool for studying the modulation of innate immune signaling and the treatment of diseases associated with excessive inflammation, including autoimmune disorders and viral infections. Its selective inhibition of TBK1 makes it an important research compound for developing targeted therapeutic strategies in immune modulation.
| Catalog Number | I015465 |
| CAS Number | 1417700-13-0 |
| Molecular Formula | C₂₆H₃₁N₃O₃ |
| Purity | ≥95% |
| Target | SARS-CoV |
| IUPAC Name | N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide |
| InChI | InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1 |
| InChIKey | JXGIYKRRPGCLFV-JOCHJYFZSA-N |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N([C@H](C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3 |
| Reference | [1]. Jacobs J, et al. Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease. J Med Chem. 2013 Jan 24;56(2):534-46. |
