JTK-109

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 527304

CAS#: 480462-62-2

Description: JTK-109 is a thumb 1 binding RNA-directed RNA polymerase (NS5B) inhibitor potentionally used for the treatment of HCV infection. JTK-109 also inhibits G1b and G3a subgenomic replicons and recombinant enzymes but was 41-fold less active against the G2a replicon.

Chemical Structure

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JTK-109
CAS# 480462-62-2
Instruction

Theoretical Analysis

MedKoo Cat#: 527304
Name: JTK-109
CAS#: 480462-62-2
Chemical Formula: C37H34Cl2FN3O4
Exact Mass: 0.00
Molecular Weight: 674.594
Elemental Analysis: C, 65.88; H, 5.08; Cl, 10.51; F, 2.82; N, 6.23; O, 9.49

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 480462-62-2 (free base); 501371-90-0 (HCl)  

Synonym: JTK-109; JTK 109; JTK109

IUPAC/Chemical Name: 2-(4-((4'-chloro-4-(2-oxopyrrolidin-1-yl)-[1,1'-biphenyl]-2-yl)methoxy)-2-fluorophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylic acid hydrochloride

InChi Key: FISZACFWIIMVDQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C37H33ClFN3O4.ClH/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27;/h8-17,19-21,27H,1-7,18,22H2,(H,44,45);1H

SMILES Code: O=C(C1=CC=C2C(N=C(C3=CC=C(OCC4=CC(N5C(CCC5)=O)=CC=C4C6=CC=C(Cl)C=C6)C=C3F)N2C7CCCCC7)=C1)O.[H]Cl

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:

Preparing Stock Solutions

The following data is based on the product molecular weight 674.59 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.

Recalculate based on batch purity %
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:

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1: Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I, Komatsu M, Ikeda S, Hashimoto H. Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors: structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109. J Med Chem. 2006 Jul 27;49(15):4721-36. PubMed PMID: 16854079.

2: Eltahla AA, Tay E, Douglas MW, White PA. Cross-genotypic examination of hepatitis C virus polymerase inhibitors reveals a novel mechanism of action for thumb binders. Antimicrob Agents Chemother. 2014 Dec;58(12):7215-24. doi: 10.1128/AAC.03699-14. PubMed PMID: 25246395; PubMed Central PMCID: PMC4249545.

3: Hirashima S, Oka T, Ikegashira K, Noji S, Yamanaka H, Hara Y, Goto H, Mizojiri R, Niwa Y, Noguchi T, Ando I, Ikeda S, Hashimoto H. Further studies on hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors toward improved replicon cell activities: benzimidazole and structurally related compounds bearing the 2-morpholinophenyl moiety. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3181-6. PubMed PMID: 17383878.