Synonym
JTK-853; JTK 853; JTK853;
IUPAC/Chemical Name
(R)-4-(5-cyclopropylthiazolo[4,5-d]pyrimidin-2-yl)-N-(3-fluoro-4-(trifluoromethoxy)benzyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperazine-2-carboxamide
InChi Key
JQLOVYLALGSISI-HXUWFJFHSA-N
InChi Code
InChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1
SMILES Code
O=C([C@@H]1N(S(=O)(C2=CC=C(C(F)(F)F)C=C2)=O)CCN(C3=NC4=NC(C5CC5)=NC=C4S3)C1)NCC6=CC=C(OC(F)(F)F)C(F)=C6
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
704.63
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 |
1: Gentile I, Buonomo AR, Zappulo E, Borgia G. Discontinued drugs in 2012 - 2013: hepatitis C virus infection. Expert Opin Investig Drugs. 2015 Feb;24(2):239-51. doi: 10.1517/13543784.2015.982274. Epub 2014 Nov 11. PubMed PMID: 25384989.
2: Ando I, Ogura N, Toyonaga Y, Hirahara K, Shibata T, Noguchi T. JTK-853, a novel non-nucleoside hepatitis C virus polymerase inhibitor, demonstrates a high genetic barrier to resistance in vitro. Intervirology. 2013;56(5):302-9. doi: 10.1159/000351141. Epub 2013 Jul 5. PubMed PMID: 24008863.
3: Ogura N, Toyonaga Y, Ando I, Hirahara K, Shibata T, Turcanu G, Pai S, Yee K, Gerhardt B, Rodriguez-Torres M, Noguchi T. Genotypic and phenotypic analyses of hepatitis C virus from patients treated with JTK-853 in a three-day monotherapy. Antimicrob Agents Chemother. 2013 Jan;57(1):436-44. doi: 10.1128/AAC.01432-12. Epub 2012 Nov 5. PubMed PMID: 23129048; PubMed Central PMCID: PMC3535980.
4: Ando I, Adachi T, Ogura N, Toyonaga Y, Sugimoto K, Abe H, Kamada M, Noguchi T. Preclinical characterization of JTK-853, a novel nonnucleoside inhibitor of the hepatitis C virus RNA-dependent RNA polymerase. Antimicrob Agents Chemother. 2012 Aug;56(8):4250-6. doi: 10.1128/AAC.00312-12. Epub 2012 May 21. PubMed PMID: 22615294; PubMed Central PMCID: PMC3421577.
