JTK-853

Investigational

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 Search

SMILES

FC1=CC(CNC(=O)[C@H]2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=NC(=NC=C5S4)C6CC6)=CC=C1OC(F)(F)F

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
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22615294 | https://www.ncbi.nlm.nih.gov/pubmed/30779479

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

PubMed

Title	Date	PubMed
Pharmacokinetics, Food Effect, Ketoconazole Interaction, and Safety of JTK-853, a Novel Nonnucleoside HCV Polymerase Inhibitor, After Ascending Single and Multiple Doses in Healthy Subjects.	2019-04	30779479
Genotypic and phenotypic analyses of hepatitis C virus from patients treated with JTK-853 in a three-day monotherapy.	2013-01	23129048
JTK-853, a novel non-nucleoside hepatitis C virus polymerase inhibitor, demonstrates a high genetic barrier to resistance in vitro.	2013	24008863
Preclinical characterization of JTK-853, a novel nonnucleoside inhibitor of the hepatitis C virus RNA-dependent RNA polymerase.	2012-08	22615294

Patents

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 `Mon Mar 31 21:20:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:20:55 GMT 2025`
Record UNII	WDX8QQD13B
Record Status	`Validated (UNII)`
Record Version

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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)-

Preferred Name

English

Code System Code Type Description

CAS

954389-09-4