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Chemical Structure| 2920904-06-7 Chemical Structure| 2920904-06-7

Structure of Simnotrelvir
CAS No.: 2920904-06-7

Chemical Structure| 2920904-06-7

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Simnotrelvir is an effective SARS-CoV-2 3CLpro inhibitor with an IC50 of 0.022 µM, showing significant antiviral activity.

Synonyms: SIM0417; SARS-CoV-2-IN-41

4.5 *For Research Use Only! Not for Human Use. We Do Not Sell to Patients.

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Product Details of Simnotrelvir

CAS No. :2920904-06-7
Formula : C22H30F3N5O4S2
M.W : 549.63
SMILES Code : O=C([C@H](C1)N(C([C@@H](NC(C(F)(F)F)=O)C(C)(C)C)=O)CC21SCCS2)N[C@H](C#N)C[C@H]3C(NCC3)=O
Synonyms :
SIM0417; SARS-CoV-2-IN-41
English Name :(S)-N-((S)-1-Cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-7-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
MDL No. :N/A

Safety of Simnotrelvir

Isoform Comparison

Biological Activity

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT05475834 Healthy Male Volunteers PHASE1 COMPLETED 2022-08-07 Shandong First Medical Univers... More >>ity, Jinan, Shandong, 250000, China Less <<

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

1.82mL

0.36mL

0.18mL

9.10mL

1.82mL

0.91mL

18.19mL

3.64mL

1.82mL

 

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