For research use only. Not for therapeutic Use.
TMC647055 (Cat.No:I009831) is a potent HCV NS5B polymerase inhibitor potentially for the treatment of HCV infection. TMC647055 has nanomolar cellular potency (EC(50) of 82 nM) with minimal associated cell toxicity (CC(50)>20 μM) and promising pharmacokinetic profiles in rats and dogs. TMC647055 showed promising in vitro biochemical, kinetic, and virological profile that is currently undergoing clinical evaluation. TMC647055 is currently being evaluated in the clinic.
| Catalog Number | I009831 |
| CAS Number | 1204416-97-6 |
| Synonyms | TMC-647055; TMC 647055; TMC647055.;2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide |
| Molecular Formula | C32H38N4O6S |
| Purity | ≥95% |
| Target | HCV |
| Solubility | Soluble in DMSO |
| Storage | Store at -20°C |
| InChI | InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37) |
| InChIKey | UOBYJVFBFSLCTQ-UHFFFAOYSA-N |
| SMILES | CN1CCOCCN(S(=O)(=O)NC(=O)C2=CC3=C(C=C2)C(=C4N3CC(=CC5=C4C=CC(=C5)OC)C1=O)C6CCCCC6)C |
| Reference | </br>1:Efficacy, safety and pharmacokinetics of simeprevir and TMC647055/ritonavir with or without ribavirin and JNJ-56914845 in HCV genotype 1 infection. Bourgeois S, Van Vlierberghe H, Moreno C, Orlent H, Nevens F, Arastéh K, Horsmans Y, Schattenberg JM, Buggisch P, Francque S, Vijgen L, Kakuda TN, Hoeben E, Luo D, Vandebosch A, Jacquemyn B, Van Remoortere P, Verloes R.BMC Gastroenterol. 2017 Feb 10;17(1):26. doi: 10.1186/s12876-017-0580-2. PMID: 28187751 Free PMC Article</br>2:Molecular modeling study on the drug resistance mechanism of NS5B polymerase to TMC647055. Wang H, Cui W, Guo C, Chen BZ, Ji M.Biochem Cell Biol. 2016 Apr;94(2):147-58. doi: 10.1139/bcb-2015-0109. Epub 2015 Nov 12. PMID: 26836778 </br>3:Discovery and early development of TMC647055, a non-nucleoside inhibitor of the hepatitis C virus NS5B polymerase. Cummings MD, Lin TI, Hu L, Tahri A, McGowan D, Amssoms K, Last S, Devogelaere B, Rouan MC, Vijgen L, Berke JM, Dehertogh P, Fransen E, Cleiren E, van der Helm L, Fanning G, Nyanguile O, Simmen K, Van Remoortere P, Raboisson P, Vendeville S.J Med Chem. 2014 Mar 13;57(5):1880-92. doi: 10.1021/jm401396p. Epub 2013 Nov 8. PMID: 24144360 </br>4:TMC647055, a potent nonnucleoside hepatitis C virus NS5B polymerase inhibitor with cross-genotypic coverage. Devogelaere B, Berke JM, Vijgen L, Dehertogh P, Fransen E, Cleiren E, van der Helm L, Nyanguile O, Tahri A, Amssoms K, Lenz O, Cummings MD, Clayton RF, Vendeville S, Raboisson P, Simmen KA, Fanning GC, Lin TI.Antimicrob Agents Chemother. 2012 Sep;56(9):4676-84. doi: 10.1128/AAC.00245-12. Epub 2012 Jun 18. PMID: 22710121 Free PMC Article</br>5:Finger loop inhibitors of the HCV NS5b polymerase. Part II. Optimization of tetracyclic indole-based macrocycle leading to the discovery of TMC647055. Vendeville S, Lin TI, Hu L, Tahri A, McGowan D, Cummings MD, Amssoms K, Canard M, Last S, Van den Steen I, Devogelaere B, Rouan MC, Vijgen L, Berke JM, Dehertogh P, Fransen E, Cleiren E, van der Helm L, Fanning G, Van Emelen K, Nyanguile O, Simmen K, Raboisson P.Bioorg Med Chem Lett. 2012 Jul 1;22(13):4437-43. doi: 10.1016/j.bmcl.2012.04.113. Epub 2012 Apr 30. PMID: 22633687 |
