SARS-CoV MPro-IN-1

• 常用名: SARS-CoV MPro-IN-1
• 英文名: MPro Inhibitor 11b
• CAS号: 2413716-71-7
• 分子量: 464.49
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₅H₂₅FN₄O₄
• 熔点: N/A
• 闪点: N/A

SARS-CoV MPro-IN-1用途

SARS-CoV MPro-IN-1 是 SARS-CoV-2 3CLpro 共价抑制剂,IC50 为 40 nM。SARS-CoV MPro-IN-1 在细胞培养中表现出良好的抗 SARS-CoV-2 感染活性,EC50 为 0.33 μM,具有研究 COVID-19 的潜力。

SARS-CoV MPro-IN-1名称

• 英文名: SARS-CoV MPro-IN-1

SARS-CoV MPro-IN-1生物活性

• 描述: SARS-CoV MPro-IN-1 是 SARS-CoV-2 3CLpro 共价抑制剂,IC50 为 40 nM。SARS-CoV MPro-IN-1 在细胞培养中表现出良好的抗 SARS-CoV-2 感染活性,EC50 为 0.33 μM,具有研究 COVID-19 的潜力。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> SARS冠状病毒
• 体内研究: SARS冠状病毒MPro-IN-1(化合物11b)(5mg/kg；静脉滴注)显示t1/2<1.65h,清除率为20.6ml/min/mg[1]。
• 参考文献:

  [1]. Dai W, et al. Structure-Based Design, Synthesis and Biological Evaluation of Peptidomimetic Aldehydes as a Novel Series of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease. bioRxiv; 2020.

SARS-CoV MPro-IN-1物理化学性质

• 分子式: C₂₅H₂₅FN₄O₄
• 分子量: 464.49
• InChIKey: HCRBVFBQANEDDM-CUWPLCDZSA-N
• SMILES: O=CC(CC1CCNC1=O)NC(=O)C(Cc1cccc(F)c1)NC(=O)c1cc2ccccc2[nH]1

SARS-CoV MPro-IN-1靶点实验

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实验名称：Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells ... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL5139999

实验名称：Inhibition of recombinant SARS-COV2 main protease using Mca-AVLQ-SGFR-Lys-NH2 as subs... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL5227017

实验名称：Inhibition of SARS-CoV-2 3CLpro preincubated for 30 mins followed by addition of (Dab... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4810314

实验名称：Clearance in CD1 mouse at 5 mg/kg, iv by LC-MS/MS analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5336375

实验名称：Cytotoxicity against human A549 cells assessed as inhibition of cell growth measured ... 来源：ChEMBL 靶标：A549 External Id：CHEMBL5140000

实验名称：Antiviral activity against SARS-CoV-2 WIV04 infected in African green monkey Vero cel... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL5140001

实验名称：Half life in CD1 mouse at 5 mg/kg, po by LC-MS/MS analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5336374

实验名称：No assay is provided from Article 10.1002/med.21724: "The recent outbreaks of human c... 来源：BindingDB 靶标：N/A External Id：BindingDB_8918_1

实验名称：Antiviral activity against SARS CoV-2 nCoV-2019BetaCoV/Wuhan/WIV04/2019 infected in A... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL5336371

实验名称：Inhibition of SARS-CoV-2 3CL protease 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL5254921

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