Simnotrelvir
SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0.022 µM. SARS-CoV-2-IN-41 shows antiviral effect[1].
Product Specifications
CAS Number
[2920904-06-7]
Product Name Alternative
SIM0417; SARS-CoV-2-IN-41
UNSPSC
12352005
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/simnotrelvir.html
Concentration
10mM
Purity
99.62
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC(F)(F)C(N[C@@H](C(C)(C)C)C(N1CC2(SCCS2)C[C@H]1C(N[C@H](C#N)C[C@H]3C(NCC3)=O)=O)=O)=O
Molecular Formula
C22H30F3N5O4S2
Molecular Weight
549.63
References & Citations
[1]XiangRui et al. Cyano compound, and preparation method therefor and use thereof. WO2023051657A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Available Sizes
Curated Selection
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