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Paritaprevir

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Category Hepatitis C Virus (HCV)
CAS 1216941-48-8
Description Paritaprevir could inhibit viral phosphoprotein NS5A and is significant to viral replication and other activities. It also has been found to have potential effect agains hepatitis C virus.
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Product Information

Synonyms ATB450; ABT-450; ABT 450; Paritaprevir; Veruprevir; Brand name: VIEKIRA PAK.
IUPAC Name (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
Molecular Weight 765.886
Molecular Formula C40H43N7O7S
Canonical SMILES CC1=NC=C(N=C1)C(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8
InChI InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1
InChIKey UAUIUKWPKRJZJV-QPLHLKROSA-N
Purity 99.89%
Density 1.5±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance White to off-white (Solid)
Storage 4°C, sealed storage, away from moisture and light
* In solvent :
-80°C 6 months;
-20°C 1 month (sealed storage, away from moisture and light)
Complexity 1600
Exact Mass 765.29446791
Index Of Refraction 1.700
In Vitro Paritaprevir demonstrates 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 infections1.
Target EC50: 1 nM(HCV 1a), 0.21 nM(HCV 1b)
XLogP3-AA 4.7

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