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TMC647055 Choline salt

Catalog No.
inhibitor of the hepatitis C virus NS5B polymerase
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TMC647055 is a potent and selective non-nucleoside inhibitor of the hepatitis C virus NS5B polymerase with EC50 value of 82 nM [1].

Hepatitis C virus (HCV) NS5B polymerase is a RNA-dependant RNA-polymerase that is responsible for viral replication and plays an important role in HCV life cycle. HCV is a major cause of chronic liver disease and acute hepatitis, ultimately leading to liver failure, cirrhosis and hepatocellular carcinoma [1].

TMC647055 is a selective and cell-permeating HCV NS5B inhibitor. In RNA polymerase primer-dependent transcription assay, TMC647055 inhibited HCV NS5B polymerase with IC50 value of 34 nM. In the Huh7-Luc cell line, TMC647055 inhibited the replication of genotype 1b replicon with EC50 values of 77 and 139 nM measured with luciferase readout and qRT-PCR readout, respectively. TMC647055 exhibited high-affinity interaction with NS5B across all genotypes (except for genotype 2b) with median KD value < 35 nM. In Huh7-Luc replicon cells, TMC647055 (750 nM) reduced 30 cell colonies formation. Also, TMC647055 (1.5 μM and 3.75 μM) reduced HCV replicon RNA [2] [3].

[1].  Vendeville S, Lin TI, Hu L, 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, 22(13): 4437-4443.
[2].  Devogelaere B, Berke JM, Vijgen L, et al. TMC647055, a potent nonnucleoside hepatitis C virus NS5B polymerase inhibitor with cross-genotypic coverage. Antimicrob Agents Chemother, 2012, 56(9): 4676-4684.
[3].  Cummings MD, Lin TI, Hu L, et al. Discovery and early development of TMC647055, a non-nucleoside inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, 2014, 57(5): 1880-1892.

Chemical Properties

Physical AppearanceA solid
StorageStore at -20°C
Cas No.1204416-97-6
Solubilityinsoluble in H2O; insoluble in EtOH; ≥72.8 mg/mL in DMSO with gentle warming
SDFDownload SDF
Canonical SMILESOCC[N+](C)(C)C.COC1=CC2=C(C3=C(C4=CC=C(C(NS(N(C)CCOCCN(C)C5=O)(=O)=O)=O)C=C4N3CC5=C2)C6CCCCC6)C=C1.[OH-]
Shipping ConditionEvaluation sample solution: ship with blue ice. All other available sizes: ship with RT, or blue ice upon request.
General tipsFor obtaining a higher solubility, please warm the tube at 37°C and shake it in the ultrasonic bath for a while. Stock solution can be stored below -20°C for several months.

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