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PF-07321332 {[allProObj[0].p_purity_real_show]}

货号:A1462928 Ambeed 开学季,买赠积分,赢豪礼

PF-07321332 is an orally active 3CL protease inhibitor, binding covalently and directly to the catalytic cysteine (Cys145) residue of the enzyme. It works as an anti-SARS-CoV-2 drug.

PF-07321332 化学结构 CAS号:2628280-40-8
PF-07321332 化学结构
CAS号:2628280-40-8
PF-07321332 3D分子结构
CAS号:2628280-40-8
PF-07321332 化学结构 CAS号:2628280-40-8
PF-07321332 3D分子结构 CAS号:2628280-40-8
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PF-07321332 纯度/质量文件 产品仅供科研

货号:A1462928 标准纯度: {[allProObj[0].p_purity_real_show]}
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PF-07321332 生物活性

描述 Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the cause of the COVID-19 pandemic. The coronavirus 3-chymotrypsin-like protease (3CLpro) controls virus replication and is therefore considered a major target and promising opportunity for rational-based antiviral discovery with direct acting agents[1]. PF-07321332 is an oral antiviral SARS-CoV-2-3CL protease inhibitor[2]. The hydrogen bonds formed by lopinavir and ritonavir with 3CLpro are inconsistent and weak as compared with the interactions of 3CLpro with PF-07321332 and α-ketoamide. PF-07321332 showed more considerable binding energy toward 3CLpro, almost by 28 kJ/mol, and three times more than lopinavir and ritonavir. The interaction of PF-07321332 and α-ketoamide with the catalytic site residues may cause the distortion of the oxyanion hole in the reaction mechanism, and it may lead to the inhibition of 3CLpro in SARS-CoV-2. Compared with PF-07321332 and α-ketoamide, both antiretroviral drugs lopinavir and ritonavir manifested weaker interactions with 3CLpro, judging by binding energy values[3]. PF-07321332 was strongly bonded to 3CLpro and capable to disrupt the His41–Cys145 catalytic dyad, which, together with the N-terminus residues 1 to 7, is thought to have a vital role in proteolytic activity[4].

PF-07321332 参考文献

[1]Koen Vandyck,Jerome Deval. Considerations for the discovery and development of 3-chymotrypsin-like cysteine protease inhibitors targeting SARS-CoV-2 infection. Curr Opin Virol. 2021. 49, 36-40.

[2]Teresa A Soucy,et al. An inhibitor of NEDD8-activating enzyme as a new approach to treat cancer. Nature. 2009. 458(7239), 732-6.

[3]Bilal Ahmad,et al. Exploring the Binding Mechanism of PF-07321332 SARS-CoV-2Protease Inhibitor through Molecular Dynamics and Binding Free Energy Simulations. Int J Mol Sci. 2021. 22(17), 9124.

[4]Mengist, H.M.; Dilnessa, T.; Jin, T. Structural Basis of Potential Inhibitors Targeting SARS-CoV-2 Main Protease. Front. Chem. 2021. 9, 622898.

PF-07321332 实验方案

计算器
存储液制备 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.00mL

0.40mL

0.20mL

10.01mL

2.00mL

1.00mL

20.02mL

4.00mL

2.00mL

PF-07321332 技术信息

CAS号2628280-40-8
分子式C23H32F3N5O4
分子量 499.526
别名
运输蓝冰
存储条件

粉末 Keep in dark place,Sealed in dry,2-8°C

液体 -20°C:3-6个月-80°C:12个月

溶解度

DMSO: 135 mg/mL(270.26 mM),配合低频超声助溶,注意:DMSO长时间开封后,会吸水并导致溶解能力下降,请避免使用长期开封的DMSO

无水乙醇: 50 mg/mL(100.09 mM),配合低频超声助溶,注意:无水乙醇开封后,易挥发,也会吸收空气中的水分,导致溶解能力下降,请避免使用开封较久的乙醇

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