Simeprevir-13C,d3

MedChem Express

Simeprevir-13C,d3

10

Research Use Only

C37 13CH44D3N5O7S2

753.95

Simeprevir- 13 C,d 3 is the 13 C- 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].

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

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