TMC647055Cholinesalt
PRODUCTS SPECIFICATIONS
DESCRIPTION
Overview
| MDL | - |
|---|---|
| Molecular Weight | 727.91 |
| Molecular Formula | C37H53N5O8S |
| SMILES | OCC[N+](C)(C)C.COC1=CC2=C(C=C1)C3=C(C4CCCCC4)C5=CC=C(C6=O)C=C5N3CC(C(N(C)CCOCCN(S(N6)(=O)=O)C)=O)=C2.[OH-] |
1 Publications Citing Use of MCE
Summary
In Vitro
TMC647055 (Choline salt) has antiviral activity with an EC
90
value of 0.3 μM in Huh7-Luc cells
[1]
.
TMC647055 Choline salt has potent combine activity with an EC
50
value of 82 nM in cellular HCV assays
[2]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Animal Model: | Rats [2] | ||||||||||||
| Dosage: | 2 mg/kg; 10mg/kg | ||||||||||||
| Administration: | 2 mg/kg, iv.; 10mg/kg, po.; singel | ||||||||||||
| Result: |
|
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date | Phase |
|---|---|---|---|---|
| NCT01907724 | Merck Sharp & Dohme LLC|Janssen Research & Development, LLC |
Hepatitis C, Chronic
|
May 2013 | Phase 1 |
| NCT01724086 | Janssen R&D Ireland |
Chronic Hepatitis C
|
October 2012 | Phase 2 |
| NCT01852604 | Merck Sharp & Dohme LLC|Janssen Research & Development, LLC |
Chronic Hepatitis C Virus
|
March 2013 | Phase 2 |
| NCT01582035 | Janssen R&D Ireland |
Hepatitis C
|
April 2012 | Phase 1 |
| NCT02064842 | Janssen R&D Ireland |
Healthy
|
February 2014 | Phase 1 |
| NCT01202825 | Tibotec Pharmaceuticals, Ireland |
Hepatitis C
|
April 2010 | Phase 1 |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : ≥ 43 mg/mL ( 59.07 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 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 |
References
- [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.