For research use only. Not for therapeutic Use.
TAK-020 is a covalent Btk inhibitor, which becomes the clinical candidate.
| Catalog Number | I045342 |
| CAS Number | 1627603-21-7 |
| Synonyms | 3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxyisoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one |
| Molecular Formula | C18H17N5O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1 |
| InChIKey | HIMUHMBGRATXMK-LBPRGKRZSA-N |
| SMILES | C=CC(=O)N1CCC(C1)OC2=NC(=CC3=CC=CC=C32)C4=NNC(=O)N4 |
| Reference | [1]. Sabat M, et al. Discovery of the Bruton’s Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (S)-5-(1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, by Fragment-Based Drug Design. J Med Chem. 2021 Sep 9;64(17):12893-12902. |
