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Filibuvir

Filibuvir structure

CAS No:
877130-28-4
Formula:
C29H37N5O3
Chemical Name:
Filibuvir
Synonyms:
2H-Pyran-2-one,6-cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-4-hydroxy-,(6R)-;(6R)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-4-hydroxy-2H-pyran-2-one;(R)-6-Cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one;PF 00868554;Filibuvir;(R)-6-Cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Filibuvir is a potent, selective non-nucleoside inhibitor (NNI) of the HCV nonstructural 5B protein (NS5B) RNA-dependent RNA polymerase, and it binds noncovalently in the “Thumb 2” pocket of NS5B. In vitro, filibuvir is equipotent against genotype 1a and 1b replicons, with an EC50 of 59 nM[1].

Filibuvir is a member of triazolopyrimidines.|Filibuvir has been used in trials studying the treatment of Hepatitis, Hepatitis C, and Chronic Hepatitis C.|Filibuvir is a non-nucleoside polymerase inhibitor of the hepatitis C virus NS5B RNA-dependent RNA polymerase. Filibuvir binds to the non-catalytic Thumb 2 site on viral polymerase and causes a decrease in viral RNA synthesis.

Filibuvir Basic Attributes

Molecular Weight：

503.64

Exact Mass：

503.64

UNII：

198J479Y2L

NCI Thesaurus Code：

C83717

Characteristics

PSA：

103

XLogP3：

5.12420

Appearance：

white to beige

Density：

1.29

Water Solubility：

DMSO: soluble10mg/mL, clear

Storage Conditions：

room temp

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one

Computed Properties

Molecular Weight:503.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:503.28964006
Monoisotopic Mass:503.28964006
Topological Polar Surface Area:103
Heavy Atom Count:37
Complexity:833
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes