For research use only. Not for therapeutic Use.
TH1217 (Cat No.: I013931) is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor, displaying an IC50 of approximately 47 nM. By inhibiting this enzyme, it enhances the cytotoxic effects of cytidine analogs in leukemia cells, potentially improving treatment outcomes. In addition, emerging evidence suggests that TH1217 can modulate SARS-CoV-2 interactors, indicating possible anti-COVID-19 activity. This dual functionality—both improving the efficacy of chemotherapeutic agents against leukemia and demonstrating antiviral properties—positions TH1217 as a promising candidate for further biomedical research and therapeutic development.
| Catalog Number | I013931 |
| CAS Number | 1862212-48-3 |
| Molecular Formula | C₂₀H₁₇BCl₂N₄O₆ |
| Purity | ≥95% |
| Target | SARS-CoV |
| Storage | Store at -20°C |
| IUPAC Name | 1-[4-[(5,6-dichloro-2-methyl-4-nitrobenzimidazol-1-yl)methyl]phenyl]-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione |
| InChI | InChI=1S/C20H17BCl2N4O6/c1-11-24-19-15(7-14(22)18(23)20(19)26(30)31)25(11)8-12-3-5-13(6-4-12)21-27(2,9-16(28)32-21)10-17(29)33-21/h3-7H,8-10H2,1-2H3 |
| InChIKey | HWFRCQHNILGMLL-UHFFFAOYSA-N |
| SMILES | [B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=C(C=C3)CN4C(=NC5=C(C(=C(C=C54)Cl)Cl)[N+](=O)[O-])C |
| Reference | [1]. Llona-Minguez S, et, al. Discovery of the First Potent and Selective Inhibitors of Human dCTP Pyrophosphatase 1. Med Chem. 2016 Feb 11; 59(3): 1140-1148.<br>[2]. Gordon DE, et, al. A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing. bioRxiv. 2020 Mar 22; 2020.03.22.002386. |
