3CLpro-1

3CLpro-1
临床资料
商品名（英语：Drug nomenclature）	3CLpro-1
法律规范状态
法律规范	美：Investigational drug;
识别信息
	IUPAC命名法 (2S)-2-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-phenylpropanamide; ;
CAS号	2409054-43-7
PubChem CID	44578386;
ChemSpider	24697352;
ChEMBL	ChEMBL477164;
化学信息
化学式	C25H25ClFN3O4
摩尔质量	640.8
3D模型（JSmol（英语：JSmol））	交互式图像;
	SMILES C1CNC(=O)[C@@H]1C[C@@H](C=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)/C=C/C3=C(C=C(C=C3)Cl)F;
	InChI InChI=1S/C25H25ClFN3O4/c26-19-8-6-17(21(27)14-19)7-9-23(32)30-22(12-16-4-2-1-3-5-16)25(34)29-20(15-31)13-18-10-11-28-24(18)33/h1-9,14-15,18,20,22H,10-13H2,(H,28,33)(H,29,34)(H,30,32)/b9-7+/t18-,20-,22-/m0/s1; Key:HXAHMXYAYHWWRI-ZCTWNQIISA-N;

3CLpro-1是一种与芦平曲韦相关的抗病毒药物，作为3C样蛋白酶抑制剂，最初开发用于治疗人类肠病毒71型。它是作为病毒酶3C样蛋白酶抑制剂开发的众多化合物中最有效的一种蛋白酶，体外IC₅₀为200nM。它还显示出对SARS和MERS等冠状病毒疾病的活性，并且正在研究作为病毒性疾病COVID-19的潜在治疗剂。病毒性疾病COVID-19的治疗剂。^[1]^[2]^[3]^[4]^[5]^[6]^[7]

另见

参考资料

^ Kuo CJ, Shie JJ, Fang JM, Yen GR, Hsu JT, Liu HG, et al. Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents. Bioorganic & Medicinal Chemistry. August 2008, 16 (15): 7388–98. PMC 7125518 . PMID 18583140. doi:10.1016/j.bmc.2008.06.015.
^ Zhou Y, Vedantham P, Lu K, Agudelo J, Carrion R, Nunneley JW, et al. Protease inhibitors targeting coronavirus and filovirus entry. Antiviral Research. April 2015, 116: 76–84. PMC 4774534 . PMID 25666761. doi:10.1016/j.antiviral.2015.01.011 .
^ Kumar V, Shin JS, Shie JJ, Ku KB, Kim C, Go YY, et al. Identification and Evaluation of Potent Middle East Respiratory Syndrome Coronavirus (MERS-CoV) 3CL Pro Inhibitors. Antiviral Research. May 2017, 141: 101–106. PMC 7113684 . PMID 28216367. doi:10.1016/j.antiviral.2017.02.007 .
^ Liu C, Zhou Q, Li Y, Garner LV, Watkins SP, Carter LJ, et al. Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases. ACS Central Science. 2020, 6 (3): 315–331. PMC 7094090 . PMID 32226821. doi:10.1021/acscentsci.0c00272 .
^ Morse JS, Lalonde T, Xu S, Liu WR. Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV. ChemBioChem. March 2020, 21 (5): 730–738. PMC 7162020 . PMID 32022370. doi:10.1002/cbic.202000047 .
^ Zhang L, Lin D, Kusov Y, Nian Y, Ma Q, Wang J, et al. α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment. Journal of Medicinal Chemistry. February 2020, 63 (9): 4562–4578. PMC 7098070 . PMID 32045235. doi:10.1021/acs.jmedchem.9b01828 .
^ Zhang L, Lin D, Sun X, Curth U, Drosten C, Sauerhering L, et al. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science. March 2020, 368 (6489): 409–412. PMC 7164518 . PMID 32198291. doi:10.1126/science.abb3405 .

[1] Kuo CJ, Shie JJ, Fang JM, Yen GR, Hsu JT, Liu HG, et al. Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents. Bioorganic & Medicinal Chemistry. August 2008, 16 (15): 7388–98. PMC 7125518 . PMID 18583140. doi:10.1016/j.bmc.2008.06.015.

[2] Zhou Y, Vedantham P, Lu K, Agudelo J, Carrion R, Nunneley JW, et al. Protease inhibitors targeting coronavirus and filovirus entry. Antiviral Research. April 2015, 116: 76–84. PMC 4774534 . PMID 25666761. doi:10.1016/j.antiviral.2015.01.011 .

[3] Kumar V, Shin JS, Shie JJ, Ku KB, Kim C, Go YY, et al. Identification and Evaluation of Potent Middle East Respiratory Syndrome Coronavirus (MERS-CoV) 3CL Pro Inhibitors. Antiviral Research. May 2017, 141: 101–106. PMC 7113684 . PMID 28216367. doi:10.1016/j.antiviral.2017.02.007 .

[4] Liu C, Zhou Q, Li Y, Garner LV, Watkins SP, Carter LJ, et al. Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases. ACS Central Science. 2020, 6 (3): 315–331. PMC 7094090 . PMID 32226821. doi:10.1021/acscentsci.0c00272 .

[pmid32022370-5] Morse JS, Lalonde T, Xu S, Liu WR. Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV. ChemBioChem. March 2020, 21 (5): 730–738. PMC 7162020 . PMID 32022370. doi:10.1002/cbic.202000047 .

[6] Zhang L, Lin D, Kusov Y, Nian Y, Ma Q, Wang J, et al. α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment. Journal of Medicinal Chemistry. February 2020, 63 (9): 4562–4578. PMC 7098070 . PMID 32045235. doi:10.1021/acs.jmedchem.9b01828 .

[7] Zhang L, Lin D, Sun X, Curth U, Drosten C, Sauerhering L, et al. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science. March 2020, 368 (6489): 409–412. PMC 7164518 . PMID 32198291. doi:10.1126/science.abb3405 .

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