3CLpro-1

3CLpro-1
臨床資料
商品名	3CLpro-1
法律規範狀態
法律規範	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）	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

卡莫氟
依布硒
GC376
GRL-0617
芦平曲韦
茶黄素双没食子酸酯

参考资料

^ Kuo, Chih-Jung; Shie, Jiun-Jie; Fang, Jim-Min; Yen, Guei-Rung; Hsu, John T. -A.; Liu, Hun-Ge; Tseng, Sung-Nain; Chang, Shih-Cheng; Lee, Ching-Yin; Shih, Shin-Ru; Liang, Po-Huang. Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents. Bioorganic & Medicinal Chemistry. 2008-08-01, 16 (15): 7388-7398 [2026-03-30]. ISSN 0968-0896. PMC 7125518 . PMID 18583140. doi:10.1016/j.bmc.2008.06.015.
^ Zhou, Yanchen; Vedantham, Punitha; Lu, Kai; Agudelo, Juliet; Carrion, Ricardo; Nunneley, Jerritt W.; Barnard, Dale; Pöhlmann, Stefan; McKerrow, James H.; Renslo, Adam R.; Simmons, Graham. Protease inhibitors targeting coronavirus and filovirus entry. Antiviral Research. 2015-04-01, 116: 73-84 [2026-03-30]. ISSN 0166-3542. PMC 4774534 . PMID 25666761. doi:10.1016/j.antiviral.2015.01.011.
^ Kumar, Vathan; Shin, Jin Soo; Shie, Jiun-Jie; Ku, Keun Bon; Kim, Chonsaeng; Go, Yun Young; Huang, Kai-Fa; Kim, Meehyein; Liang, Po-Huang. Identification and evaluation of potent Middle East respiratory syndrome coronavirus (MERS-CoV) 3CLPro inhibitors. Antiviral Research. 2017-05-01, 141: 101-106 [2026-03-30]. ISSN 0166-3542. PMC 7113684 . PMID 28216367. doi:10.1016/j.antiviral.2017.02.007.
^ Liu, Cynthia; Zhou, Qiongqiong; Li, Yingzhu; Garner, Linda V.; Watkins, Steve P.; Carter, Linda J.; Smoot, Jeffrey; Gregg, Anne C.; Daniels, Angela D.; Jervey, Susan; Albaiu, Dana. Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases. ACS Central Science. 2020-03-25, 6 (3): 315-331 [2026-03-30]. ISSN 2374-7943. PMC 10467574 . PMID 32226821. doi:10.1021/acscentsci.0c00272 （英语）.
^ Morse, Jared S.; Lalonde, Tyler; Xu, Shiqing; Liu, Wenshe Ray. Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV. ChemBioChem. 2020-03-02, 21 (5): 731-738 [2026-03-30]. ISSN 1439-4227. PMC 7162020 . PMID 32022370. doi:10.1002/cbic.202000047 （英语）.
^ Zhang, Linlin; Lin, Daizong; Kusov, Yuri; Nian, Yong; Ma, Qingjun; Wang, Jiang; von Brunn, Albrecht; Leyssen, Pieter; Lanko, Kristina; Neyts, Johan; de Wilde, Adriaan. α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment. Journal of Medicinal Chemistry. 2020-05-14, 63 (9): 4562-4578 [2026-03-30]. ISSN 0022-2623. doi:10.1021/acs.jmedchem.9b01828 （英语）.
^ Zhang, Linlin; Lin, Daizong; Sun, Xinyuanyuan; Curth, Ute; Drosten, Christian; Sauerhering, Lucie; Becker, Stephan; Rox, Katharina; Hilgenfeld, Rolf. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science. 2020-04-24, 368 (6489): 409-412 [2026-03-30]. ISSN 0036-8075. PMC 7164518 . PMID 32198291. doi:10.1126/science.abb3405 （英语）.

[1] Kuo, Chih-Jung; Shie, Jiun-Jie; Fang, Jim-Min; Yen, Guei-Rung; Hsu, John T. -A.; Liu, Hun-Ge; Tseng, Sung-Nain; Chang, Shih-Cheng; Lee, Ching-Yin; Shih, Shin-Ru; Liang, Po-Huang. Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents. Bioorganic & Medicinal Chemistry. 2008-08-01, 16 (15): 7388-7398 [2026-03-30]. ISSN 0968-0896. PMC 7125518 . PMID 18583140. doi:10.1016/j.bmc.2008.06.015.

[2] Zhou, Yanchen; Vedantham, Punitha; Lu, Kai; Agudelo, Juliet; Carrion, Ricardo; Nunneley, Jerritt W.; Barnard, Dale; Pöhlmann, Stefan; McKerrow, James H.; Renslo, Adam R.; Simmons, Graham. Protease inhibitors targeting coronavirus and filovirus entry. Antiviral Research. 2015-04-01, 116: 73-84 [2026-03-30]. ISSN 0166-3542. PMC 4774534 . PMID 25666761. doi:10.1016/j.antiviral.2015.01.011.

[3] Kumar, Vathan; Shin, Jin Soo; Shie, Jiun-Jie; Ku, Keun Bon; Kim, Chonsaeng; Go, Yun Young; Huang, Kai-Fa; Kim, Meehyein; Liang, Po-Huang. Identification and evaluation of potent Middle East respiratory syndrome coronavirus (MERS-CoV) 3CLPro inhibitors. Antiviral Research. 2017-05-01, 141: 101-106 [2026-03-30]. ISSN 0166-3542. PMC 7113684 . PMID 28216367. doi:10.1016/j.antiviral.2017.02.007.

[4] Liu, Cynthia; Zhou, Qiongqiong; Li, Yingzhu; Garner, Linda V.; Watkins, Steve P.; Carter, Linda J.; Smoot, Jeffrey; Gregg, Anne C.; Daniels, Angela D.; Jervey, Susan; Albaiu, Dana. Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases. ACS Central Science. 2020-03-25, 6 (3): 315-331 [2026-03-30]. ISSN 2374-7943. PMC 10467574 . PMID 32226821. doi:10.1021/acscentsci.0c00272 （英语）.

[pmid32022370-5] Morse, Jared S.; Lalonde, Tyler; Xu, Shiqing; Liu, Wenshe Ray. Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV. ChemBioChem. 2020-03-02, 21 (5): 731-738 [2026-03-30]. ISSN 1439-4227. PMC 7162020 . PMID 32022370. doi:10.1002/cbic.202000047 （英语）.

[6] Zhang, Linlin; Lin, Daizong; Kusov, Yuri; Nian, Yong; Ma, Qingjun; Wang, Jiang; von Brunn, Albrecht; Leyssen, Pieter; Lanko, Kristina; Neyts, Johan; de Wilde, Adriaan. α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment. Journal of Medicinal Chemistry. 2020-05-14, 63 (9): 4562-4578 [2026-03-30]. ISSN 0022-2623. doi:10.1021/acs.jmedchem.9b01828 （英语）.

[7] Zhang, Linlin; Lin, Daizong; Sun, Xinyuanyuan; Curth, Ute; Drosten, Christian; Sauerhering, Lucie; Becker, Stephan; Rox, Katharina; Hilgenfeld, Rolf. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science. 2020-04-24, 368 (6489): 409-412 [2026-03-30]. ISSN 0036-8075. PMC 7164518 . PMID 32198291. doi:10.1126/science.abb3405 （英语）.

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