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Chemical Structure| 923604-59-5 Chemical Structure| 923604-59-5

Structure of Simeprevir
CAS No.: 923604-59-5

Chemical Structure| 923604-59-5

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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. It inhibits HCV replication with an EC50 of 7.8 nM and also potently suppresses SARS-CoV-2 replication, synergizing with Remdesivir. Simeprevir inhibits the main protease (Mpro) and RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 and modulates host immune responses.

Synonyms: TMC435350; TMC435

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Product Details of Simeprevir

CAS No. :923604-59-5
Formula : C38H47N5O7S2
M.W : 749.94
SMILES Code : C(NS(=O)(=O)C1CC1)(=O)[C@]23[C@@](C2)(/C=C\CCCCN(C)C(=O)[C@]4([C@](C(=O)N3)(C[C@@H](OC=5C6=C(N=C(C5)C7=NC(C(C)C)=CS7)C(C)=C(OC)C=C6)C4)[H])[H])[H]
Synonyms :
TMC435350; TMC435
MDL No. :MFCD25563225

Safety of Simeprevir

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Isoform Comparison

Biological Activity

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT00752544 HCV PHASE1 COMPLETED 2025-11-08 -
NCT00866853 Hepatitis C|Viruses PHASE1 COMPLETED 2025-07-09 -
NCT01567735 Hepatitis C PHASE3 COMPLETED 2014-03-20 Antwerpen, Belgium|Brussel, Be... More >>lgium|Edegem, Belgium|Clichy, France|Creteil, France|Lyon, France|Paris, France|Villejuif Cedex, France Less <<
NCT01046058 Hepatitis C Virus PHASE1 COMPLETED 2025-07-11 Anaheim, California, United St... More >>ates|Orlando, Florida, United States|San Antonio, Texas, United States Less <<
NCT01022125 Hepatitis C Virus PHASE1 COMPLETED 2025-04-10 -
NCT01381835 Hepatitis C Virus PHASE1 COMPLETED 2025-01-12 Prague 7, Czech Republic
NCT01799603 Healthy PHASE1 COMPLETED 2025-07-12 Toshima, Japan
NCT00752648 Hepatitis C|HCV PHASE1 COMPLETED 2025-01-09 -
NCT01323244 Hepatitis C PHASE3 COMPLETED 2025-03-15 Bakersfield, California, Unite... More >>d States|Los Angeles, California, United States|San Diego, California, United States|Englewood, Colorado, United States|Jacksonville, Florida, United States|Orlando, Florida, United States|New Orleans, Louisiana, United States|Jackson, Mississippi, United States|Tupelo, Mississippi, United States|Chapel Hill, North Carolina, United States|Cincinnati, Ohio, United States|Philadelphia, Pennsylvania, United States|Dallas, Texas, United States|Houston, Texas, United States|San Antonio, Texas, United States|Buenos Aires, Argentina|Rosario, Santa Fe, Argentina|Adelaide, Australia|Concord, Australia|Melbourne, Australia|Wentworthville, Australia|Woolloongabba N/A, Australia|Wien, Austria|Antwerpen, Belgium|Brussels, Belgium|Gent, Belgium|Sao Paulo, Brazil|Sofia, Bulgaria|Toronto, Ontario, Canada|Montreal, Quebec, Canada|Grenoble, France|Lyon, France|Nice Cedex 03 N/A, France|Paris Cedex 12, France|Berlin, Germany|Frankfurt A. M., Germany|Hamburg, Germany|Kiel, Germany|Münster, Germany|Ulm, Germany|Würzburg, Germany|Haifa, Israel|Zefat, Israel|Monterrey, Mexico|Amsterdam, Netherlands|Rotterdam, Netherlands|Auckland, New Zealand|Christchurch, New Zealand|Bydgoszcz, Poland|Chorzów, Poland|Czeladz, Poland|Kielce, Poland|Myslowice, Poland|Warschau, Poland|Coimbra, Portugal|Lisboa, Portugal|San Juan, Puerto Rico|Bucuresti, Romania|Moscow, Russian Federation|Saint-Petersburg, Russian Federation|Samara, Russian Federation|Smolensk, Russian Federation|St Petersburg, Russian Federation|Stavropol, Russian Federation|Barcelona, Spain|Madrid, Spain|Sevilla N/A, Spain|Valencia, Spain|Donetsk, Ukraine|Kyiv, Ukraine|Vinnitsa, Ukraine|Birmingham, United Kingdom|London, United Kingdom Less <<
NCT00812331 Hepatitis C PHASE2 COMPLETED 2025-11-09 Brugge, Belgium|Brussels, Belg... More >>ium|Bruxelles, Belgium|Gent, Belgium|Leuven, Belgium|Berlin, Germany|Frankfurt N/A, Germany|Freiburg, Germany|Hannover, Germany|Bangkok, Thailand|Chiang Mai, Thailand Less <<

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

1.33mL

0.27mL

0.13mL

6.67mL

1.33mL

0.67mL

13.33mL

2.67mL

1.33mL

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