JTK-109

JTK-109
Identifiers
	IUPAC name 2-[4-[[2-(4-chlorophenyl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;
CAS Number	480462-62-2;
PubChem CID	11686018;
ChemSpider	9860746;
UNII	BJA28665XS;
ChEMBL	ChEMBL210297;
Chemical and physical data
Formula	C37H33ClFN3O4
Molar mass	638.14 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)N6CCCC6=O)C7=CC=C(C=C7)Cl)F;
	InChI InChI=1S/C37H33ClFN3O4/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); Key:NIBYCXOKANETJM-UHFFFAOYSA-N;

JTK-109 is an antiviral drug which acts as a NS5B RNA-dependent RNA polymerase inhibitor. It was initially developed for the treatment of Hepatitis C, but also shows activity against caliciviruses such as norovirus.^[1]^[2]^[3]^[4]

References

^ Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I, et al. (July 2006). "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". Journal of Medicinal Chemistry. 49 (15): 4721–4736. doi:10.1021/jm060269e. PMID 16854079.
^ Hirashima S, Oka T, Ikegashira K, Noji S, Yamanaka H, Hara Y, et al. (June 2007). "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". Bioorganic & Medicinal Chemistry Letters. 17 (11): 3181–3186. doi:10.1016/j.bmcl.2007.03.027. PMID 17383878.
^ Netzler NE, Enosi Tuipulotu D, Eltahla AA, Lun JH, Ferla S, Brancale A, et al. (October 2017). "Broad-spectrum non-nucleoside inhibitors for caliciviruses". Antiviral Research. 146: 65–75. doi:10.1016/j.antiviral.2017.07.014. PMID 28757394.
^ Netzler NE, Enosi Tuipulotu D, White PA (May 2019). "Norovirus antivirals: Where are we now?". Medicinal Research Reviews. 39 (3): 860–886. doi:10.1002/med.21545. PMC 7168425. PMID 30584800.

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Identifiers

IUPAC name 2-[4-[[2-(4-chlorophenyl)-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CAS Number	480462-62-2
PubChem CID	11686018
ChemSpider	9860746
UNII	BJA28665XS
ChEMBL	ChEMBL210297
Chemical and physical data
Formula	C₃₇H₃₃ClFN₃O₄
Molar mass	638.14 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)N6CCCC6=O)C7=CC=C(C=C7)Cl)F
InChI InChI=1S/C37H33ClFN3O4/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) Key:NIBYCXOKANETJM-UHFFFAOYSA-N