Paritaprevir-dihydrate

Category	HCV Protease
CAS	1456607-71-8
Description	Paritaprevir (ABT-450) dihydrate is a potent, orally active and antiviral non-structural protein 3/4A (NS3/4A) protease inhibitor with EC50s of 1 and 0.21 nM against HCV 1a and 1b, respectively. Paritaprevir dihydrate is also a SARS-CoV 3CLpro inhibitor with an IC50 of 1.31 μM. Paritaprevir dihydrate is metabolized primarily by cytochrome P450 (CYP) 3A. The plasma concentration and half-life of Paritaprevir dihydrate can be enhanced by Ritonavir (a CYP450 inhibitor).

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Product Information

Synonyms	Paritaprevir dihydrate\|UNII-HRQ5901O78\|Paritaprevir (dihydrate)\|1456607-71-8\|HRQ5901O78\|(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;dihydrate\|ABT 450 dihydrate\|ABT-450 dihydrate\|veruprevir dihydrate\|CHEMBL3781660\|HY-12594A\|CS-0103246\|Q27280068
Molecular Weight	801.908
Molecular Formula	C40H47N7O9S
Canonical SMILES	CC1=CN=C(C=N1)C(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8.O.O
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	1600
Exact Mass	801.31559728
In Vitro	Paritaprevir has in vitro antiviral activity against HCV GT1-4 and GT6 (EC50 range, 0.09 to 19 nM), with an EC50 of 0.09 nM against GT4a.
In Vivo	The combination of Paritaprevir, Ritonavir, Ombitasvir (an NS5A protein inhibitor), and Dasabuvir (an NS5B non-nucleoside polymerase inhibitor) with or without RBV has been approved to treat HCV genotype 1 infections. The acute toxicity of Paritaprevir is considered to be low. Single oral doses of ≤600 mg/kg in rats and ≤100 mg/kg in dogs produces no mortality and were well tolerated. However, since Paritaprevir is administered without ritonavir as a PK enhancer, the exposures are low, especially in male rats (rat 600 mg/kg, males: Cmax 1.82 μg/mL, AUC0-24 8.89 μg·h/mL; dog 100 mg/kg, mean: Cmax 61.3 μg/mL, AUC0-24 285 μg·h/mL).
Target	EC50: 1 nM (HCV 1a), 0.21 nM (HCV 1b) IC50: 1.31 μM (SARS-CoV 3CLpro)