1862212-48-3
Chemical Structure
TH1217
Synonym(s): ZINC1775962367
- CAS 番号: 1862212-48-3
- Formula:C20H17BCl2N4O6
- Molecular Weight:491.09
IUPAC Name: 8-(4-((5,6-dichloro-2-methyl-4-nitro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-4-methyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione
InChIKey: HWFRCQHNILGMLL-UHFFFAOYSA-N
SMILES: CC1=NC2=C(C(Cl)=C(Cl)C=C2N1CC3=CC=C(C=C3)[B-]45OC(C[N+]4(C)CC(O5)=O)=O)[N+]([O-])=O
Biological Activity: TH1217 (ZINC1775962367) is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor, with an IC50 of 47 nM. TH1217 enhances the cytotoxic effect of cytidine analogues in leukemia cells. TH1217 also could modulate SARS-Cov-2 interactors, so it shows activity of against COVID-19[1][2].
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TH1217 | 97.04% | TH1217 (ZINC1775962367) is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor, with an IC50 of 47 nM. TH1217 enhances the cytotoxic effect of cytidine analogues in leukemia cells. TH1217 also could modulate SARS-Cov-2 interactors, so it shows activity of against COVID-19. | ||||||||||||||||||||
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Similarity Score 0.43
HY-15245RGSK2636771 (Standard) -
Similarity Score 0.43
HY-W636234GSK2636771 methyl -
Similarity Score 0.43
HY-105686RFR-229934 (Standard) -
Similarity Score 0.41
HY-125080BIBS-222 -
Similarity Score 0.41
HY-111671VUBI1 -
Similarity Score 0.41
HY-161225HSD17B13-IN-40 -
Similarity Score 0.40
HY-15182Collagen proline hydroxylase inhibitor-1 -
Similarity Score 0.40
HY-145886TLR7/8 antagonist 1 -
Similarity Score 0.40
HY-20070BMS-566394 -
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References
- [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. [Content Brief]
- [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. [Content Brief]
