TMC647055 (Choline salt) is a potent non-nucleoside NS5B polymerase inhibitor of HCV (hepatitis C virus) replication. TMC647055 Choline salt has strong HCV (hepatitis C virus) binding activity with IC50 of 82 nM. TMC647055 Choline salt may be utilized in the research of HCV (hepatitis C virus).

Physicochemical Properties

Molecular Formula	C37H53N5O8S
Molecular Weight	727.91
Related CAS #	TMC647055;1204416-97-6
Appearance	White to off-white solid powder
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	EC90: 0.3 μM (Huh7-Luc cell)[1]. EC50: 82 nM (HCV)[2]
ln Vitro	In Huh7-Luc cells, TMC647055 (choline salt) exhibits antiviral activity with an EC90 value of 0.3 μM[1]. In cellular HCV tests, TMC647055 Choline salt exhibits strong combine action with an EC50 value of 82 nM[2].
ln Vivo	TMC647055 Compound 18a, choline salt, exhibits a satisfactory pharmacokinetic profile with a single oral dosage of 10 mg/kg, demonstrating good oral bioavailability and systemic exposure, moderate plasma clearance, and a modest volume of distribution[2].
Animal Protocol	Animal/Disease Models: Rats[2] Doses: 2 mg/kg; 10mg/kg Route of Administration: 2 mg/kg, iv.; 10mg/kg, po.; singel Experimental Results: No . Cl (L/h/kg) Cmax (ng/mL) [Liver] (ng/mL) L/PF (%) TMC647055 (compound 18a) 3.2 440 7800 46 ＞66
References	[1]. TMC647055, a potent nonnucleoside hepatitis C virus NS5B polymerase inhibitor with cross-genotypic coverage. Antimicrob Agents Chemother. 2012 Sep;56(9):4676-4684. [2]. 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.

Solubility Data

Solubility (In Vitro)

DMSO :~62.5 mg/mL (~85.86 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (2.86 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.3738 mL	6.8690 mL	13.7380 mL
	5 mM	0.2748 mL	1.3738 mL	2.7476 mL
	10 mM	0.1374 mL	0.6869 mL	1.3738 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.