For research use only. Not for therapeutic Use.
TMC647055 (Choline salt) is a potent nonnucleoside NS5B polymerase inhibitor of HCV replication. TMC647055 Choline salt has potent HCV combine activity with an IC50 value of 82 nM. TMC647055 Choline salt can be used for the research of Hepatitis C virus (HCV)[1][2].
TMC647055 (Choline salt) has antiviral activity with an EC90 value of 0.3 μM in Huh7-Luc cells[1].
TMC647055 Choline salt has potent combine activity with an EC50 value of 82 nM in cellular HCV assays[2].
TMC647055 Choline salt (compound 18a) (2 mg/kg, iv.; 10mg/kg, po.) shows an acceptable PK profile, characterized by high oral bioavailability and high systemic exposure after single oral dosing of 10 mg/kg, combined with a moderate plasma clearanceand low volume of distribution[2].
| Catalog Number | I005759 |
| Synonyms | 28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9λ6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione;2-hydroxyethyl(trimethyl)azanium;hydroxide |
| Molecular Formula | C37H53N5O8S |
| Purity | ≥95% |
| InChI | InChI=1S/C32H38N4O6S.C5H14NO.H2O/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;1-6(2,3)4-5-7;/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37);7H,4-5H2,1-3H3;1H2/q;+1;/p-1 |
| InChIKey | PHHZAIOGANLKJD-UHFFFAOYSA-M |
| SMILES | CN1CCOCCN(S(=O)(=O)NC(=O)C2=CC3=C(C=C2)C(=C4N3CC(=CC5=C4C=CC(=C5)OC)C1=O)C6CCCCC6)C.C[N+](C)(C)CCO.[OH-] |
| Reference | [1]. Devogelaere B, et al. TMC647055, a potent nonnucleoside hepatitis C virus NS5B polymerase inhibitor with cross-genotypic coverage. Antimicrob Agents Chemother. 2012 Sep;56(9):4676-4684. [2]. Sandrine Vendeville, et al. Finger loop inhibitors of the HCV NS5b polymerase. Part II. Optimization of tetracyclic indole-based macrocycle leading to the discovery of TMC647055. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4437-43. |
