For research use only. Not for therapeutic Use.
Simeprevir Sodium（Cat No.:I009489）is a high-purity antiviral agent and hepatitis C virus (HCV) protease inhibitor. It targets the NS3/4A protease, a key enzyme in the viral replication cycle, effectively blocking HCV replication. Simeprevir Sodium is widely used in research focused on HCV pathogenesis, resistance mechanisms, and the development of combination therapies for chronic HCV infections. Its potent activity and selectivity make it an essential tool for advancing antiviral drug discovery and understanding protease inhibitor mechanisms. High purity ensures reliable results in experimental and preclinical studies.
| Catalog Number | I009489 |
| CAS Number | 1241946-89-3 |
| Synonyms | TMC435; TMC 435; TMC435; Simeprevir; Olysio.;sodium (cyclopropylsulfonyl)((2R,3aR,11aS,12aR,14aR,Z)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclop |
| Molecular Formula | C38H46N5NaO7S2 |
| Purity | ≥95% |
| Target | Metabolic Enzyme/Protease |
| Solubility | Soluble in DMSO. |
| Storage | 0 - 4 °C for short term, or -20 °C for long term |
| IUPAC Name | sodium;cyclopropylsulfonyl-[(1R,4R,7Z,15R,17R)-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]azanide |
| InChI | InChI=1S/C38H47N5O7S2.Na/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25;/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H2,41,42,44,46);/q;+1/p-1/b10-8-;/t23?,24-,27-,28-,38-;/m1./s1 |
| InChIKey | LLXQGDWGCCKOQP-OBABASCOSA-M |
| SMILES | CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\C5C[C@]5(NC4=O)C(=O)[N-]S(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC.[Na+] |
| Reference | 1:J Am Pharm Assoc (2003). 2014 Mar-Apr;54(2):202-7. doi: 10.1331/JAPhA.2014.14513. New drugs: simeprevir, sofosbuvir, and dolutegravir sodium.Hussar DA,Jin ZJ, PMID: 24632934 DOI: 10.1331/JAPhA.2014.14513 |
