For research use only. Not for therapeutic Use.
TKB245 is a highly potent SARS-CoV-2 Mpro inhibitor that effectively blocks SARS-CoV-2 replication in VeroE6 cells[1].
| Catalog Number | I040610 |
| CAS Number | 2892688-16-1 |
| Synonyms | (1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N-[(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| Molecular Formula | C30H35F4N5O5S |
| Purity | ≥95% |
| InChI | InChI=1S/C30H35F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-14-18(29(14,4)5)20(39)24(42)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,14-,16-,18-,20-,22+/m0/s1 |
| InChIKey | UGXSZZAITMURED-MCUUEWDYSA-N |
| SMILES | CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(=O)C4=NC5=C(C=CC=C5S4)F)C |
| Reference | [1]. Kohei Tsuji, et al. Structure-Activity Relationship Studies of SARS-CoV-2 Main Protease Inhibitors Containing 4-Fluorobenzothiazole-2-carbonyl Moieties. J Med Chem. 2023 Oct 12;66(19):13516-13529. |
