For research use only. Not for therapeutic Use.
TH1217 (Cat No.:I013931) is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor with an IC50 of 47 nM. TH1217 enhances the cytotoxic effect of cytidine analogs in leukemia cells. TH1217 can also regulate SARS-Cov-2 interactors, so it has anti-COVID-19 activity.
| Catalog Number | I013931 |
| CAS Number | 1862212-48-3 |
| Molecular Formula | C₂₀H₁₇BCl₂N₄O₆ |
| Purity | ≥95% |
| 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. |
