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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H23F7N6O4S2
Molecular Weight 704.639
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JTK-853

SMILES

FC1=C(OC(F)(F)F)C=CC(CNC(=O)[C@H]2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=C(S4)C=NC(=N5)C6CC6)=C1

InChI

InChIKey=JQLOVYLALGSISI-HXUWFJFHSA-N
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

HIDE SMILES / InChI
Molecular Formula C28H23F7N6O4S2
Molecular Weight 704.639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

JTK-853, a piperazine derivative, is a non-nucleoside inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase. It is under development for the treatment of hepatitis C virus infection.

Originator

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
JTK-853, a novel non-nucleoside hepatitis C virus polymerase inhibitor, demonstrates a high genetic barrier to resistance in vitro.
2013
Patents

Patents

08017612
1
20080081818
1

Sample Use Guides

In Vitro Use Guide
JTK-853 inhibited hepatitis C virus (HCV) RNA-dependent RNA polymerase activity of the genotype 1b Con1 and BK and genotype 1a H77 strains with 50% inhibitory concentration (IC50) values of 0.00832 uM, 0.0178 uM, and 0.0173 uM, respectively. On the other hand, the IC50s against HCV polymerases of genotypes 2, 3, and 4 were >10 uM, 0.277 uM, and 0.214 uM, respectively.
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:10:02 GMT 2023
Edited
by admin
on Sat Dec 16 04:10:02 GMT 2023
Record UNII
WDX8QQD13B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JTK-853
Common Name English
2-PIPERAZINECARBOXAMIDE, 4-(5-CYCLOPROPYLTHIAZOLO(4,5-D)PYRIMIDIN-2-YL)-N-((3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL)METHYL)-1-((4-(TRIFLUOROMETHYL)PHENYL)SULFONYL)-, (2R)-
Common Name English
Code System Code Type Description
CAS
954389-09-4
Created by admin on Sat Dec 16 04:10:02 GMT 2023 , Edited by admin on Sat Dec 16 04:10:02 GMT 2023
PRIMARY
FDA UNII
WDX8QQD13B
Created by admin on Sat Dec 16 04:10:02 GMT 2023 , Edited by admin on Sat Dec 16 04:10:02 GMT 2023
PRIMARY
PUBCHEM
57519700
Created by admin on Sat Dec 16 04:10:02 GMT 2023 , Edited by admin on Sat Dec 16 04:10:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID60241836
Created by admin on Sat Dec 16 04:10:02 GMT 2023 , Edited by admin on Sat Dec 16 04:10:02 GMT 2023
PRIMARY
DRUG BANK
DB13095
Created by admin on Sat Dec 16 04:10:02 GMT 2023 , Edited by admin on Sat Dec 16 04:10:02 GMT 2023
PRIMARY
NIH
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