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Home > Encyclopedia > 3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile

3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile

3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile structure

3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile 

structure
  • CAS No:

    473921-12-9

  • Formula:

    C17H18N4O2

  • Chemical Name:

    3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile

  • Synonyms:

    Lersivirine(UK 453061);3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile;UK 453061

Description

Lersivirine(UK-453061) is a next-generation non-nucleoside reverse transcriptase inhibitor (NNRTI, IC50=119 nM) with a unique resistance profile that exhibits potent antiretroviral activity against wild-type human immunodeficiency virus and clinically relevant NNRTI-resistant strains.IC50 value: 0.119 uM [1]Target: NNRTIUK-453061(Compound 5) demonstrated excellent activity against large panels of wild type and drug-resistant HIV consistent with the encouraging profile demonstrated agains


Lersivirine is an aromatic ether.|Lersivirine has been used in trials studying the treatment of HIV-1.|Lersivirine is a next-generation, pyrazole non-nucleoside reverse transcriptase inhibitor. Lersivirine retains activity against HIV viruses with mutations at position Y181, which confers resistance to efavirenz, etravirine, and nevirapine.

3-Cyano-5-[[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy]benzonitrile Basic Attributes

310.35

310.142975

R3ZGC15A9A

DTXSID0057881

C83872

Characteristics

94.9

2.1

1.2±0.1 g/cm3

455.382°C at 760 mmHg

229.2±28.7 °C

1.595

Safety Information

P201, P202, P260, P273, P281, P308+P313, P314, P405, P501

H361

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P260, P273, P281, P308+P313, P314, P405, and P501|Aggregated GHS information provided by 29 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-((3,5-diethyl-1-(2-hydroxyethyl)(3,5-14C2)-1H-pyrazol-4-yl)oxy)benzene-1,3-dicarbonitrile

Computed Properties

Molecular Weight:310.35
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:310.14297583
Monoisotopic Mass:310.14297583
Topological Polar Surface Area:94.9
Heavy Atom Count:23
Complexity:456
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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