Simeprevir sodium
- Product Name
- Simeprevir sodium
- CAS No.
- 1241946-89-3
- Chemical Name
- Simeprevir sodium
- Synonyms
- Olysio;Simeprevir sodium;TMC 435 sodium salt
- CBNumber
- CB83043307
- Molecular Formula
- C38H47N5O7S2.x(Na)
- Formula Weight
- 773.94
- MOL File
- 1241946-89-3.mol
Simeprevir sodium Property
- storage temp.
- Store at -20°C
- solubility
- DMSO:30.0(Max Conc. mg/mL);38.86(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.43(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);38.86(Max Conc. mM) - form
- A crystalline solid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation
H341Suspected of causing genetic defects
H361Suspected of damaging fertility or the unborn child
H370Causes damage to organs
H413May cause long lasting harmful effects to aquatic life
- Precautionary statements
-
P201Obtain special instructions before use.
P202Do not handle until all safety precautions have been read and understood.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P272Contaminated work clothing should not be allowed out of the workplace.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P284Wear respiratory protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P341IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313IF exposed or concerned: Get medical advice/attention.
P310Immediately call a POISON CENTER or doctor/physician.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.
P342+P311IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P363Wash contaminated clothing before reuse.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 22144
- Product name
- Simeprevir (sodium salt)
- Packaging
- 1mg
- Price
- $44
- Updated
- 2024/03/01
- Product number
- 22144
- Product name
- Simeprevir (sodium salt)
- Packaging
- 25mg
- Price
- $638
- Updated
- 2024/03/01
- Product number
- 22144
- Product name
- Simeprevir (sodium salt)
- Packaging
- 5mg
- Price
- $151
- Updated
- 2024/03/01
- Product number
- 22144
- Product name
- Simeprevir (sodium salt)
- Packaging
- 10mg
- Price
- $278
- Updated
- 2024/03/01
Simeprevir sodium Chemical Properties,Usage,Production
Description
Simeprevir is an orally bioavailable and potent inhibitor of the hepatitis C virus (HCV) nonstructural protein 3/4A (NS3/4A) protease (Ki = 0.36 nM), a serine protease essential for HCV replication. It inhibits HCV viral replication with an EC50 value of 7.8 nM in Huh7 replicon cells using a luciferase-based assay. Simeprevir is effective against the HCV genotypes 1a and 1b in biochemical assays. In Huh7 replicon cells, it is synergistically effective when used in combination with IFN-α or NM-107 and has an additive effect when used with ribavirin . Formulations containing simeprevir have been used, alone or in combination with pegylated IFN-α and ribavirin, for the treatment of HCV.
Uses
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].
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
[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. DOI:10.1016/j.bmcl.2008.07.088
[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. DOI:10.1128/AAC.01058-08
[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. DOI:10.1128/AAC.01569-16
[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. DOI:10.1021/acscentsci.0c01186
Simeprevir sodium Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Simeprevir sodium manufacturers
- Product
- Simeprevir Sodium 1241946-89-3
- Price
- US $0.00/g
- Min. Order
- 1g
- Purity
- More Than 99%
- Supply Ability
- 100kg/Month
- Release date
- 2024-09-04