Simeprevir (Standard)
Simeprevir (Standard) is the analytical standard of Simeprevir (HY-10241). This product is intended for research and analytical applications. 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.
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- CAS No.: 923604-59-5
- 화학식: C38H47N5O7S2
- 분자량:749.94
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
Product Information
The compound is the grade of analytical standard, which is the reference standard supplied assay. It is commonly used in qualitative, quantitative and methodological research experiments in HPLC, GC and MS.
Chemical Information
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CAS No. 923604-59-5
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분자량 749.94
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화학식 C38H47N5O7S2
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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
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Synonyms
TMC435 (Standard); TMC435350 (Standard)
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
[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. [Content Brief]
[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. [Content Brief]
[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. [Content Brief]
[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. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)