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Antiviral API
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JTK-853
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| Category | Hepatitis C Virus (HCV) |
| CAS | 954389-09-4 |
| Description | JTK-853 is a novel, non-nucleoside Hepatitis C Virus (HCV) polymerase inhibitor which shows effective antiviral activity in HCV replicon cells with EC50s of 0.38 and 0.035 µM in genotype 1a H77 and 1b Con1 strains, respectively. |
Product Information
| Synonyms | JTK-853|UNII-WDX8QQD13B|WDX8QQD13B|954389-09-4|2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo(4,5-d)pyrimidin-2-yl)-n-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-, (2R)-|(2r)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-Yl)-N-[3-Fluoro-4-(Trifluoromethoxy)benzyl]-1-{[4-(Trifluoromethyl)phenyl]sulfonyl}piperazine-2-Carboxamide|3vqs|JTK 853|SCHEMBL2440999|CHEMBL4297295|DTXSID60241836|DB13095|HY-19921|CS-0016935|Q27292580|(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide|(2R)-4-(5-Cyclopropylthiazolo[4,5-d]pyrimidine-2-yl)-N-(3-fluoro-4-trifluoromethoxybenzyl)-1-(4-trifluoromethylphenylsulfonyl)piperazine-2-carboxamide|(R)-4-(5-cyclopropyl-thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-trifluoromethyl-benzenesulfonyl)-piperazine-2-carboxylic acid 3-fluoro-4-trifluoromethoxy-benzylamide|JT1 |
| Molecular Weight | 704.64 |
| Molecular Formula | C28H23F7N6O4S2 |
| Canonical SMILES | C1CC1C2=NC=C3C(=N2)N=C(S3)N4CCN(C(C4)C(=O)NCC5=CC(=C(C=C5)OC(F)(F)F)F)S(=O)(=O)C6=CC=C(C=C6)C(F)(F)F |
| Purity | ≥98% (HPLC) |
| Solubility | In Vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Assay | For the determination of cytotoxicity of JTK-853, the Huh-7.5 cells are treated with JTK-853 for 2 weeks. The thumb pocket NNI-B and NS5Ai are added at 100 µM and 100 nM, respectively. JTK-853 is added at 10 µM. JTK-853-containing medium is changed twice a week. Two weeks after the culture, the cells are stained with crystal violet [1% (v/v) in methanol], and then lysed by the lysis buffer. The cytotoxicity is determined as a measurement of OD 595 nm of the cell lysates. |
| Complexity | 1220 |
| Exact Mass | 704.11104272 |
| In Vitro | JTK-853 is a novel, non-nucleoside Hepatitis C Virus Polymerase inhibitor which shows effective antiviral activity in HCV replicon cells with EC50s of 0.38 and 0.035 µM in genotype 1a H77 and 1b Con1 strains, respectively. When JTK-853 is incubated with the replicon cells for 48 h, it shows antiviral activity against genotype 1a H77 and 1b Con1 replicon cells with EC90 values of 6.5±0.5 and 0.34±0.05 µM, respectively. At 10 µM, JTK-853 induces apparent Huh-7.5 cell death in 2-week culture. JTK-853 suppresses the drug-resistant colony formation in the genotype 1a replicon cells, and the numbers of JTK-853-resistant colonies are much lower than those of GS-9190-resistant colonies for both genotypes. |
| PSA | 157.73000 |
| Target | HCV polymerase EC50: 0.38 μM (1a H77 HCV), 0.035 μM (1b Con1 HCV) |
| XLogP3-AA | 5.7 |