Simeprevir (sodium)
Product Specifications
UNSPSC Description
Simeprevir (TMC435; TMC435350) sodium is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir sodium inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir sodium also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir sodium inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses[1][4].
Target Antigen
DNA/RNA Synthesis; HCV; HCV Protease; SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection;Cell Cycle/DNA Damage;Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/simeprevir-sodium.html
Solubility
10 mM in DMSO
Smiles
O=S(NC([C@]12[C@@](/C=C\CCCCN(C([C@@]3([H])[C@](C[C@H](C3)OC4=CC(C5=NC(C(C)C)=CS5)=NC6=C4C=CC(OC)=C6C)([H])C(N2)=O)=O)C)([H])C1)=O)(C7CC7)=O.[Na].[x]
References & Citations
[1]Raboisson P, et al. Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8.|[2]Lin TI, et al. In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor.Antimicrob Agents Chemother. 2009 Apr;53(4):1377-85. Epub 2009 Jan 26.|[3]Rajagopalan R, et al. Preclinical Characterization and Human Microdose Pharmacokinetics of ITMN-8187, a Nonmacrocyclic Inhibitor of the Hepatitis C Virus NS3 Protease. Antimicrob Agents Chemother. 2016 Dec 27;61(1). pii: e01569-16.|[4]Lo HS, et al. Simeprevir Potently Suppresses SARS-CoV-2 Replication and Synergizes with Remdesivir. ACS Cent Sci. 2021 May 26;7(5):792-802.
Shipping Conditions
Room temperature
Product Datasheet
http://file.medchemexpress.com/batch_PDF/HY-10241A/Simeprevir-sodium-DataSheet-MedChemExpress.pdf
Product MSDS
http://file.medchemexpress.com/batch_PDF/HY-10241A/
Clinical Information
Launched
CAS Number
1241946-89-3
Curated Selection
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