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Simeprevir-13C, d3

CAT: 0804-HY-10241S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10241S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Simeprevir-13C, d3 is the 13C- and deuterium labeled Simeprevir. Simeprevir 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][2][5].
Product Name Alternative
TMC435-13C, d3; TMC435350-13C, d3
UNSPSC
12352005
Target
DNA/RNA Synthesis; HCV; HCV Protease; Isotope-Labeled Compounds; SARS-CoV
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
CC1=C(O[13C]([2H])([2H])[2H])C=CC2=C1N=C(C3=NC(C(C)C)=CS3)C=C2O[C@H]4C[C@@H](C(N(C)CCCC/C=C\[C@H](C5)[C@]5(C(NS(=O)(C6CC6)=O)=O)N7)=O)[C@H](C7=O)C4
Molecular Formula
C37 13CH44D3N5O7S2
Molecular Weight
753.95
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]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.|[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]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.|[5]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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

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