HCV-IN-38

Category	Hepatitis C Virus (HCV)
Description	HCV-IN-38 is a potent, selective and orally active HCV inhibitor (EC50=15 nM, SI=431). HCV-IN-38 has high anti-HCV activity and low cytotoxicity. HCV-IN-38 has a good safety and oral pharmacokinetic profile.

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Synonyms	HCV-IN-38\|HY-115989\|CS-0434763
Molecular Weight	500.9
Molecular Formula	C22H24ClF3N4O4
Canonical SMILES	CN(C)C1CN(C1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCCCl)[N+](=O)[O-])C(F)(F)F
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	703
Exact Mass	500.1438174
In Vitro	HCV-IN-38 (compound 80) (0-20 μM; 72 hours) exhibits high anti-HCV activity with EC50=15 nM and low cytotoxicity with CC50=6.47 μM in Huh7.5 cells. HCV-IN-38 (2 μM; 2 hours) has moderate permeability (0.5 < Papp < 2.5 (×10-6 cm/s)).
In Vivo	HCV-IN-38 (2 μM; 4 hours) has decent plasma stability (t1/2, rat=16.9 h and t1/2, human=19.9 h). HCV-IN-38 (2 mg/kg for i.p., 10 mg/kg for p.o., single) exhibits satisfying PK properties with an oral total exposure (AUC) of 1502 ng h/mL, medium in vivo clearance (38.3 mL/min/kg), Cmax of 452 ng/mL, and moderate bioavailability of 34%. HCV-IN-38 (50-200 mg/kg; i.p., single) has modest safety profiles with LD50 values higher than 150 mg/kg.
Target	EC50: 15 nM (HCV) in Huh7.5 cells
XLogP3-AA	3.7