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Simeprevir

CAT: 0804-HY-10241-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10241-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Simeprevir (TMC435; TMC435350) is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses[1][4].
CAS Number
923604-59-5
Product Name Alternative
TMC435; TMC435350
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
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.html
Concentration
10mM
Purity
99.90
Solubility
DMSO : 14.29 mg/mL (ultrasonic)
Smiles
COC1=C(C)C2=C(C(O[C@H]3C[C@@H](C(N(C)CCCC/C=C\[C@H](C4)[C@]4(C(NS(=O)(C5CC5)=O)=O)N6)=O)[C@H](C6=O)C3)=CC(C7=NC(C(C)C)=CS7)=N2)C=C1
Molecular Formula
C38H47N5O7S2
Molecular Weight
749.94
Precautions
H315, H319, H320
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Alternative Products

CatalogName
A3820-50Simeprevir

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