JTK-109 | CAS#480462-62-2 | CAS#501371-90-0 | NS5B Inhibitor

MedKoo Cat#: 527304 | Name: JTK-109

Description:

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

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

JTK-109

CAS#480462-62-2

Theoretical Analysis

MedKoo Cat#: 527304

Name: JTK-109

CAS#: 480462-62-2

Chemical Formula: C37H34Cl2FN3O4

Exact Mass:

Molecular Weight: 674.59

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 currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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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

Instruction

View handling instruction

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.

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: 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.