TMC-435350 Inhibitor CAS No. 923604-59-5

Cat. No.	Name	Size	Price	Add Cart
KI3662	TMC-435350	5 mg	$330

Chemical Characteristic

Product Name	TMC-435350
CAS No.	923604-59-5
Molecular Weight	749.94
Formula	C₃₈H₄₇N₅O₇S₂
Chemical Name	(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1
Smiles	N1(C(=O)[C@H]2[C@H](C(=O)N[C@@]3([C@@H](/C=C\CCCC1)C3)C(=O)NS(=O)(=O)C1CC1)C[C@@H](C2)Oc1cc(nc2c1ccc(c2C)OC)c1scc(n1)C(C)C)C
Chemical Structure

Biological activities

Simeprevir (TMC 435350) is a potent inhibitor of HCV NS3/4A protease (Ki = 0.36 nM) and viral replication (replicon EC50 = 7.8 nM) ^[1]. Simeprevir plays an important role in HCV replication. Data from phase I and II clinical trials of TMC-435350 (TMC 435350 ^[2]; TMC 435; TMC-435350) have shown that this agent is well tolerated as a once-daily oral therapy and provides potent antiviral activity in HCV genotype 1-infected subjects, with restoration of liver enzymes and no evidence of viral breakthrough ^[3]. In vivo, it can be used by 75-150mg/day in adults ^[4].

References

[1]. Raboisson P, de Kock H, Rosenquist A, 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. 2008,18(17): 4853-4858. [2] Lin, Tse-I, Lenz, Oliver, Fanning, Gregory, et al. In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor. Antimicrobial Agents and Chemotherapy. 2009, 53(4): 1377-1385. [3]. Xue W, Pan D, Yang Y, et al. Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435.Antiviral Res. 2012, 93(1):126-137. [4]. Kanda T, Nakamoto S , Wu S , et al. New treatments for genotype 1 chronic hepatitis C - focus on simeprevir. Ther Clin Risk Manag. 2014, 24(10):387-394.

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