1241946-89-3
1241946-89-3 structure
- Name: TMC435
- Chemical Name: TMC 435 sodium salt
- CAS Number: 1241946-89-3
- Molecular Formula: C38H46N5NaO7S2
- Molecular Weight: 771.92100
- Catalog: Signaling Pathways Anti-infection HCV
- Create Date: 2017-04-26 00:28:38
- Modify Date: 2025-08-26 19:42:19
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Simeprevir (TMC435; TMC435350) sodium is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir sodium inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir sodium also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir sodium inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses[1][4].
| Name | TMC 435 sodium salt |
|---|---|
| Synonyms |
Simeprevir sodium
TMC 435 sodium Sovriad |
| Description | Simeprevir (TMC435; TMC435350) sodium is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir sodium inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir sodium also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir sodium inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses[1][4]. |
|---|---|
| Related Catalog | |
| Target |
Ki: 0.36 nM (HCV NS3/4A protease)[1] EC50: 7.8 nM (HCV replication)[1] IC50: 9.6±2.3 μM (SARS-CoV-2 Mpro), 5.5±0.2 μM (SARS-CoV-2 RdRp)[4] |
| In Vitro | Simeprevir (TMC435) inhibits HCV in a dose-dependent manner in Huh7-Luc cells, with EC50 and EC90 values of 8 nM and 24 nM, respectively[2]. Simeprevir (TMC435) inhibits NS3/4A proteases from HCV genotypes 1 to 6 with IC50s of 1/0.9/7/30/1.5/2.2/1.6 nM for 1a/1b/2b/3a/4/5/6, respectively[3]. Simeprevir inhibits SARS-CoV-2 in Vero E6 cells with an IC50 of 9.6±2.3 μM and 5.5±0.2 μM for Mpro and RdRp, respectively[4]. |
| In Vivo | Simeprevir (TMC435) has moderate terminal elimination half-life (t1/2=1.5 h and 4.1 h for rat (3 mg/kg, p.o.), monkey (3 mg/kg, p.o.))[3]. Simeprevir (TMC435350) exhibits a medium-slow rate of absorption, well distribution with the high concentration observed in the liver, and a low clearance[1]. Pharmacokinetic Parameters of Simeprevir (TMC435350) in male Sprague-Dawley rats[1]. IV (2 mg/kg) PO (10 mg/kg) CL (L/h/kg) 0.505 Vdss (h) 0.49 AUC0-24 (μM·h) 5.21 2.79 Cmax (μM) 0.73 Tmax (h) 3.0 T1/2 (h) 2.8 F (%) 11 Liver/plasma ratio at 6 h 63.5 32 Animal Model: Sprague-Dawley (SD) rats and cynomolgus monkeys[3] Dosage: 3 mg/kg Administration: PO; single dosage Result: Time at which peak concentration (Tmax) of 1 hour and 2 hour for rat and monkey, respectively. Concentration at 24 h after dosing (C24 h) of 0.9 and 2.3 ng/mL for rat and monkey, respectively. AUC0-24h=1173 and 1409 ng·h/mL for rat and monkey, respectively. |
| References |
| Molecular Formula | C38H46N5NaO7S2 |
|---|---|
| Molecular Weight | 771.92100 |
| Exact Mass | 771.27400 |
| PSA | 184.97000 |
| LogP | 7.22770 |