CAS 153168-05-9|Pleconaril

Introduction：Basic information about CAS 153168-05-9|Pleconaril, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Pleconaril BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Articles2
6. Synonyms

Common Name	Pleconaril
CAS Number	153168-05-9	Molecular Weight	381.349
Density	1.3±0.1 g/cm3	Boiling Point	481.2±55.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₈F₃N₃O₃	Melting Point	61-62°
MSDS	ChineseUSA	Flash Point	244.8±31.5 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Synonym	More Synonyms

Pleconaril BiologicalActivity

Description	Pleconaril is a capsid inhibitor used previously to treat enterovirus infections. Pleconaril is effective in inhibiting replication with an IC50 of 50 nM.Target: enterovirusPleconaril is a capsid inhibitor designed to dock within a hydrophobic pocket formed by the capsid proteins VP1, VP3 and VP2. Pleconaril leads to stiffening of the capsid structure,preventing RNA release into the cell. Pleconaril has been used as treatment on a compassionateuse basis in neonates and immunodeficient patients with severe EV infections.
Related Catalog	Signaling Pathways >>Anti-infection >>EnterovirusResearch Areas >>Infection
References	[1]. Benschop KS, et al. Genetic and antigenic structural characterization for resistance of echovirus 11 to pleconaril in an immunocompromised patient. J Gen Virol. 2015 Mar;96(Pt 3):571-9. [2]. Lacroix C, et al. http://www.ncbi.nlm. In vitro characterisation of a pleconaril/pirodavir-like compound with potent activity against rhinoviruses. Virol J. 2015 Jul 14;12:106.

Description

Pleconaril is a capsid inhibitor used previously to treat enterovirus infections. Pleconaril is effective in inhibiting replication with an IC50 of 50 nM.Target: enterovirusPleconaril is a capsid inhibitor designed to dock within a hydrophobic pocket formed by the capsid proteins VP1, VP3 and VP2. Pleconaril leads to stiffening of the capsid structure,preventing RNA release into the cell. Pleconaril has been used as treatment on a compassionateuse basis in neonates and immunodeficient patients with severe EV infections.

Related Catalog

Signaling Pathways >>Anti-infection >>EnterovirusResearch Areas >>Infection

References

[1]. Benschop KS, et al. Genetic and antigenic structural characterization for resistance of echovirus 11 to pleconaril in an immunocompromised patient. J Gen Virol. 2015 Mar;96(Pt 3):571-9.

[2]. Lacroix C, et al. http://www.ncbi.nlm. In vitro characterisation of a pleconaril/pirodavir-like compound with potent activity against rhinoviruses. Virol J. 2015 Jul 14;12:106.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	481.2±55.0 °C at 760 mmHg
Melting Point	61-62°
Molecular Formula	C₁₈H₁₈F₃N₃O₃
Molecular Weight	381.349
Flash Point	244.8±31.5 °C
Exact Mass	381.130035
PSA	74.18000
LogP	5.77
Appearance of Characters	white to beige
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.509
InChIKey	KQOXLKOJHVFTRN-UHFFFAOYSA-N
SMILES	Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1
Storage condition	room temp
Water Solubility	DMSO: ≥10mg/mL (warmed)

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H413
Precautionary Statements	P301 + P310
Hazard Codes	T
Risk Phrases	25
Safety Phrases	45
RIDADR	UN 2811 6.1 / PGIII

Articles2

Molecular mechanism of a specific capsid binder resistance caused by mutations outside the binding pocket.

Antiviral Res. 123 , 138-45, (2015)

Enteroviruses cause various acute and chronic diseases. The most promising therapeutics for these infections are capsid-binding molecules. These can act against a broad spectrum of enteroviruses, but ...

Microscopic determination of drug solubility in plasma and calculation of injection rates with a plasma circulatory model to prevent precipitation on intravenous injection.

J. Pharm. Biomed. Anal. 13(9) , 1189-93, (1995)

Synonyms

Pleconaril

Picovir

Pleconarilis

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