BI-1230

Category	HCV Protease
CAS	849022-32-8
Description	BI-1230 is potent and digit nanomolar inhibitor of HCV NS3 protease and of viral replication. BI-1230 is also highly selective against other serine/cysteine proteases. BI-1230 shows good Pharmacokinetic(PK) activity.

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Synonyms	849022-32-8\|BI-1230\|(2R,6S,13aR,14aR,16aS,Z)-6-(((Cyclopentyloxy)carbonyl)amino)-2-((2-(2-isobutyramidothiazol-4-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid\|(1S,4R,6R,7Z,14S,18R)-14-(Cyclopentyloxycarbonylamino)-18-[7-methoxy-8-methyl-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
Molecular Weight	816.96
Molecular Formula	C42H52N6O9S
Canonical SMILES	CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O)C7=CSC(=N7)NC(=O)C(C)C)OC
Purity	>98.00%
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months
Complexity	1550
Exact Mass	816.35164843
In Vitro	BI-1230 shows an IC50 value of 6.7 nm in enzymatic analysis. BI-1230 (72 h) showed EC50 values of 4.6 nm and < 1.8 nm in HCVPV-RNA replication luciferase report analysis at Huh7 cell genotype background 1a and 1b.
In Vivo	BI-1230 (intravenously, 2 mg/kg) exhibits good PK activity in rats: CL: 15 ml/min/kg, mean residence time after intravenous injection: 2.3 h, Vss: 2.05 l/kg. BI-1230 (oral, 5 mg/kg) exhibits good PK activity in rats.
Target	IC50: 6.7 nM (HCV NS3 protease
XLogP3-AA	6.2