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Simeprevir-13C,d3

Simeprevir-13C,d3

Item no.	HY-10241S-1mg
Manufacturer	MedChem Express
Amount	1 mg
Quantity options	1 ea 1 mg 5 mg
Category	Inhibitors & Compound Libraries Small Molecules
Type	Molecules
Specific against	other
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.
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
ECLASS 10.1	32169090
ECLASS 11.0	32169090
UNSPSC	12000000
Alias	TMC435-13C,d3,TMC435350-13C,d3
Shipping Condition	Room temperature
Available
Manufacturer - Type	Isotope-Labeled Compounds
Manufacturer - Targets	DNA/RNA Synthesis; HCV; HCV Protease; Isotope-Labeled Compounds; SARS-CoV
Shipping Temperature	Room temperature
Molecular Weight	753.95
Product 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].
Manufacturer - Research Area	Infection
Solubility	10 mM in DMSO
Manufacturer - Pathway	Anti-infection; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others
Clinical information	No Development Reported

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