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1902114-15-1
  • names:

    PC786

  • CAS号:

    1902114-15-1

    MDL Number: NA
  • MF(分子式): C41H38FN5O4S MW(分子量): 715.83
  • EINECS:No data available Reaxys Number:No data available
  • Pubchem ID:121276461 Brand:BIOFOUNT
PC786
PC786(1902114-15-1)是一种吸入性呼吸道合胞病毒(RSV)L蛋白聚合酶抑制剂。 PC786对RSV-A和RSV-B表现出强大的抗病毒活性。PC786可能发挥作用的方式包括通过抑制病毒DNA聚合酶来防止病毒复制, 与特定的细胞表面受体结合并抑制病毒渗透或脱壳, 抑制病毒蛋白质合成, 或阻止病毒组装的后期。 
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中文别名 PC786(1902114-15-1);PC-786;PC 786
英文别名 PC786(1902114-15-1);PC-786;PC 786
CAS号 1902114-15-1
SMILES O=C(C(S1)=CC2=C1C3=CC=CC=C3N(C(C4=CC=C(NC(C5=CC(C)=CN=C5N6CC7(CCOCC7)C6)=O)C=C4)=O)CC2)NC8=C(C)C=CC=C8F
Inchi InChI=1S/C41H38FN5O4S/c1-25-20-31(37(43-22-25)46-23-41(24-46)15-18-51-19-16-41)38(48)44-29-12-10-27(11-13-29)40(50)47-17-14-28-21-34(52-36(28)30-7-3-4-9-33(30)47)39(49)45-35-26(2)6-5-8-32(35)42/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,48)(H,45,49)
InchiKey VTCJNYICQADBJD-UHFFFAOYSA-N
分子式 Formula C41H38FN5O4S
分子量 Molecular Weight 715.83
闪点 FP 452.4±34.3 °C
熔点 Melting point No data available
沸点 Boiling point 824.4±65.0 °C at 760 mmHg
Polarizability极化度 78.3±0.5 10-24cm3
密度 Density 1.4±0.1 g/cm3
蒸汽压 Vapor Pressure 0.0±3.0 mmHg at 25°C
溶解度Solubility
性状 Solid
储藏条件 Storage conditions 请根据产品建议的存储条件进行存储,Please store the product under the recommended condition sin the description.

PC786(1902114-15-1)实验注意事项:
1.实验前需戴好防护眼镜,穿戴防护服和口罩,佩戴手套,避免与皮肤接触。
2.实验过程中如遇到有毒或者刺激性物质及有害物质产生,必要时实验操作需要手套箱内完成以免对实验人员造成伤害
3.实验后产生的废弃物需分类存储,并交于专业生物废气物处理公司处理,以免造成环境污染

PC786(1902114-15-1)Experimental considerations:
1. Wear protective glasses, protective clothing and masks, gloves, and avoid contact with the skin during the experiment.
2. The waste generated after the experiment needs to be stored separately, and handed over to a professional biological waste gas treatment company to avoid environmental pollution.

Tag:PC786(1902114-15-1),PC786试剂,PC786抑制剂,PC786的纯度,PC786的作用,PC786的含量,PC786的外观,PC786的溶解度,PC786的MSDS,PC786的合成,PC786的用途,PC786的生产,PC786的活性,PC786的图谱
产品说明 PC786(1902114-15-1)是一种与酶结合的化合物或试剂,可防止正常的底物-酶结合和催化反应。
IntroductionPC786 (1902114-15-1) is a compound or reagent that binds to enzymes, which can prevent normal substrate-enzyme binding and catalyze reactions.
Application1
Application2
Application3
Structure-based drug designing and immunoinformatics approach for SARS-CoV-2
Abstract:
The prevalence of respiratory illness caused by the novel SARS-CoV-2 virus associated with multiple organ failures is spreading rapidly because of its contagious human-to-human transmission and inadequate globalhealth care systems. Pharmaceutical repurposing, an effective drug development technique using existing drugs, could shorten development time and reduce costs compared to those of de novo drug discovery. We carried out virtual screening of antiviral compounds targeting the spike glycoprotein (S), main protease (Mpro), and the SARS-CoV-2 receptor binding domain (RBD)–angiotensin-converting enzyme 2 (ACE2) complex of SARS-CoV-2. PC786, an antiviral polymerase inhibitor, showed enhanced binding affinity to all the targets. Furthermore, the postfusion conformation of the trimeric S protein RBD with ACE2 revealed conformational changes associated with PC786 drug binding. Exploiting immunoinformatics to identify T cell and B cell epitopes could guide future experimental studies with a higher probability of discovering appropriate vaccine candidates with fewer experiments and higher reliability.
Late therapeutic intervention with a respiratory syncytial virus L-protein polymerase inhibitor, PC786, on respiratory syncytial virus infection in human airway epithelium
Differential antiviral activities of respiratory syncytial virus (RSV) inhibitors in human airway epithelium PMID 29596680; The Journal of antimicrobial chemotherapy 2018 07; 73(7):1823-1829
Differential antiviral activities of respiratory syncytial virus (RSV) inhibitors in human airway epithelium PMID 29596680; The Journal of antimicrobial chemotherapy 2018 07; 73(7):1823-1829
Preclinical Characterization of PC786, an Inhaled Small-Molecule Respiratory Syncytial Virus L Protein Polymerase Inhibitor PMID 28652242; Antimicrobial agents and chemotherapy 2017 09; 61(9):
Differential antiviral activities of respiratory syncytial virus (RSV) inhibitors in human airway epithelium PMID 29596680; The Journal of antimicrobial chemotherapy 2018 07; 73(7):1823-1829

Late therapeutic intervention with a respiratory syncytial virus L-protein polymerase inhibitor, PC786, on respiratory syncytial virus infection in human airway epithelium
PMID 29579332; British journal of pharmacology 2018 06; 175(12):2520-2534
Background and purpose:
Effective anti-respiratory syncytial virus (RSV) agents are still not available for clinical use. Current major targets are virus surface proteins, such as a fusion protein involved in viral entry, but agents effective after RSV infection is established are required. Here we have investigated the effects of late therapeutic intervention with a novel inhaled RSV polymerase inhibitor, PC786, on RSV infection in human airway epithelium.
Experimental approach: Air liquid interface-cultured bronchial or small airway epithelium was infected with RSVA2. PC786 was applied apically or basolaterally once daily following peak virus load on Day 3 post inoculation. Apical wash was collected daily for determination of viral burden by PCR and plaque assay (primary endpoints) and biomarker analyses. The effects were compared with those of ALS-8112, an anti-RSV nucleoside analogue, and GS-5806, a fusion-protein inhibitor, which were treated basolaterally.
Key results: Late intervention with GS-5806 did not show significant anti-viral effects, but PC786 produced potent, concentration-dependent inhibition of viral replication with viral load falling below detectable limits 3 days after treatment commenced in airway epithelium. These effects were superior to those of ALS-8112. PC786 showed inhibitory activities against RSV-induced increases of CCL5, IL-6, double-strand DNA and mucin. The effects of PC786 were also confirmed in small airway epithelium.
Conclusion and implications: Late therapeutic intervention with the RSV polymerase inhibitor, PC786, reduced the viral burden quickly in human airway epithelium. Thus, PC786 demonstrates the potential to be an effective therapeutic agent to treat active RSV infection.

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