WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H526950
CAS#: 1204416-97-6
Description: TMC647055 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.
Hodoodo Cat#: H526950
Name: TMC647055
CAS#: 1204416-97-6
Chemical Formula: C32H38N4O6S
Exact Mass: 606.25
Molecular Weight: 606.738
Elemental Analysis: C, 63.35; H, 6.31; N, 9.23; O, 15.82; S, 5.28
Synonym: TMC-647055; TMC 647055; TMC647055.
IUPAC/Chemical Name: 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
InChi Key: UOBYJVFBFSLCTQ-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: CN1CCOCCN(C)S(=O)(NC(C2=CC(N3C(C4=CC=C(OC)C=C4C=C(C1=O)C3)=C5C6CCCCC6)=C5C=C2)=O)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 606.74 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Wang H, Cui W, Guo C, Chen BZ, Ji M. Molecular modeling study on the drug
resistance mechanism of NS5B polymerase to TMC647055. Biochem Cell Biol. 2016
Apr;94(2):147-58. doi: 10.1139/bcb-2015-0109. PubMed PMID: 26836778.
2: 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.
Discovery and early development of TMC647055, a non-nucleoside inhibitor of the
hepatitis C virus NS5B polymerase. J Med Chem. 2014 Mar 13;57(5):1880-92. doi:
10.1021/jm401396p. PubMed PMID: 24144360.
3: 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. TMC647055, a potent
nonnucleoside hepatitis C virus NS5B polymerase inhibitor with cross-genotypic
coverage. Antimicrob Agents Chemother. 2012 Sep;56(9):4676-84. doi:
10.1128/AAC.00245-12. PubMed PMID: 22710121; PubMed Central PMCID: PMC3421868.
4: 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. 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.
doi: 10.1016/j.bmcl.2012.04.113. PubMed PMID: 22633687.
