IDX-184

IDX-184
法律规范状态
法律规范	美：研究药物;
识别信息
	IUPAC命名法 S-[2-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl}oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate; ;
CAS号	1036915-08-8
PubChem CID	135565589;
ChemSpider	34066446;
UNII	4W44B4S9OC;
化学信息
化学式	C25H35N6O9PS
摩尔质量	626.6
3D模型（JSmol（英语：JSmol））	交互式图像;
	SMILES C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O;
	InChI InChI=1S/C25H35N6O9PS/c1-24(2,13-32)22(35)42-10-9-38-41(37,28-11-15-7-5-4-6-8-15)39-12-16-18(33)25(3,36)21(40-16)31-14-27-17-19(31)29-23(26)30-20(17)34/h4-8,14,16,18,21,32-33,36H,9-13H2,1-3H3,(H,28,37)(H3,26,29,30,34)/t16-,18-,21-,25-,41?/m1/s1; Key:FGHMGRXAHIXTBM-TWFJNEQDSA-N;

IDX-184是一种抗病毒药物，开发用作NS5B（英语：NS5B） RNA聚合酶抑制剂来治疗丙型肝炎。^[1]^[2]尽管它在早期临床试验中显示出一定效果，但并未通过IIb期试验。^[3]然而，该药物的研究仍在继续，并对一些新病毒（如兹卡病毒^[4]^[5]、MERS^[6]和SARS-CoV-2等冠状病毒^[7]^[8]）显示出一定的药物活性。

参考文献

^ Elfiky AA, Elshemey WM. IDX-184 is a superior HCV direct-acting antiviral drug: a QSAR study. Med Chem Res. 2016;25(5):1005-1008. doi:10.1007/s00044-016-1533-y PMID 32214769
^ Elfiky AA. Novel Guanosine Derivatives as Anti-HCV NS5b Polymerase: A QSAR and Molecular Docking Study. Med Chem. 2019;15(2):130-137. doi:10.2174/1573406414666181015152511 PMID 30324891
^ Gentile I, Buonomo AR, Zappulo E, Borgia G. Discontinued drugs in 2012 - 2013: hepatitis C virus infection. Expert Opin Investig Drugs. 2015 Feb;24(2):239-51. doi:10.1517/13543784.2015.982274 PMID 25384989
^ Elfiky AA. Zika viral polymerase inhibition using anti-HCV drugs both in market and under clinical trials. J Med Virol. 2016 Dec;88(12):2044-2051. doi:10.1002/jmv.24678 PMID 27604059
^ Elfiky AA, Ismail AM. Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures. SAR QSAR Environ Res. 2018 May;29(5):409-418. doi:10.1080/1062936X.2018.1454981 PMID 29652194
^ Elfiky AA, Mahdy SM, Elshemey WM. Quantitative structure-activity relationship and molecular docking revealed a potency of anti-hepatitis C virus drugs against human corona viruses. J Med Virol. 2017 Jun;89(6):1040-1047. doi:10.1002/jmv.24736 PMID 27864902
^ Elfiky AA. Anti-HCV, nucleotide inhibitors, repurposing against COVID-19. Life Sci. 2020 May 1;248:117477. doi:10.1016/j.lfs.2020.117477 PMID 32119961
^ Elfiky AA. Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study. Life Sci. 2020 Mar 25:117592. doi:10.1016/j.lfs.2020.117592 PMID 32222463

[1] Elfiky AA, Elshemey WM. IDX-184 is a superior HCV direct-acting antiviral drug: a QSAR study. Med Chem Res. 2016;25(5):1005-1008. doi:10.1007/s00044-016-1533-y PMID 32214769

[2] Elfiky AA. Novel Guanosine Derivatives as Anti-HCV NS5b Polymerase: A QSAR and Molecular Docking Study. Med Chem. 2019;15(2):130-137. doi:10.2174/1573406414666181015152511 PMID 30324891

[3] Gentile I, Buonomo AR, Zappulo E, Borgia G. Discontinued drugs in 2012 - 2013: hepatitis C virus infection. Expert Opin Investig Drugs. 2015 Feb;24(2):239-51. doi:10.1517/13543784.2015.982274 PMID 25384989

[4] Elfiky AA. Zika viral polymerase inhibition using anti-HCV drugs both in market and under clinical trials. J Med Virol. 2016 Dec;88(12):2044-2051. doi:10.1002/jmv.24678 PMID 27604059

[5] Elfiky AA, Ismail AM. Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures. SAR QSAR Environ Res. 2018 May;29(5):409-418. doi:10.1080/1062936X.2018.1454981 PMID 29652194

[6] Elfiky AA, Mahdy SM, Elshemey WM. Quantitative structure-activity relationship and molecular docking revealed a potency of anti-hepatitis C virus drugs against human corona viruses. J Med Virol. 2017 Jun;89(6):1040-1047. doi:10.1002/jmv.24736 PMID 27864902

[7] Elfiky AA. Anti-HCV, nucleotide inhibitors, repurposing against COVID-19. Life Sci. 2020 May 1;248:117477. doi:10.1016/j.lfs.2020.117477 PMID 32119961

[8] Elfiky AA. Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study. Life Sci. 2020 Mar 25:117592. doi:10.1016/j.lfs.2020.117592 PMID 32222463

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法律规范状态

法律规范	美：研究药物
识别信息
IUPAC命名法 S-[2-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl}oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
CAS号	1036915-08-8 ^Y
PubChem CID	135565589
ChemSpider	34066446
UNII	4W44B4S9OC
化学信息
化学式	C₂₅H₃₅N₆O₉PS
摩尔质量	626.6
3D模型（JSmol（英语：JSmol））	交互式图像
SMILES C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)O
InChI InChI=1S/C25H35N6O9PS/c1-24(2,13-32)22(35)42-10-9-38-41(37,28-11-15-7-5-4-6-8-15)39-12-16-18(33)25(3,36)21(40-16)31-14-27-17-19(31)29-23(26)30-20(17)34/h4-8,14,16,18,21,32-33,36H,9-13H2,1-3H3,(H,28,37)(H3,26,29,30,34)/t16-,18-,21-,25-,41?/m1/s1 Key:FGHMGRXAHIXTBM-TWFJNEQDSA-N