ChemicalBook--->CAS DataBase List--->153168-05-9

153168-05-9

153168-05-9 Structure

153168-05-9 Structure
IdentificationBack Directory
[Name]

PLECONARIL
[CAS]

153168-05-9
[Synonyms]

Picovir
VP 63843
Rimiducid
WIN 63843
PLECONARIL
Pleconarilis
Pleconaril-d4
PLECONARIL USP/EP/BP
3-[3,5-DiMethyl-4-[3-(3-Methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoroMethyl)-
3-[3,5-Dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
1,2,4-Oxadiazole,3-[3,5-diMethyl-4-[3-(3-Methyl-5-isoxazolyl)propoxy]phenyl]-5-(trifluoroMethyl)-
3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole
[Molecular Formula]

C18H18F3N3O3
[MDL Number]

MFCD00923611
[MOL File]

153168-05-9.mol
[Molecular Weight]

381.352
Chemical PropertiesBack Directory
[Melting point ]

61-62°
[Boiling point ]

481.2±55.0 °C(Predicted)
[density ]

1.271
[storage temp. ]

room temp
[solubility ]

DMSO: ≥10mg/mL (warmed)
[form ]

powder
[pka]

-1.33±0.10(Predicted)
[color ]

white to beige
[InChI]

1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
[InChIKey]

KQOXLKOJHVFTRN-UHFFFAOYSA-N
[SMILES]

Cc1cc(CCCOc2c(C)cc(cc2C)-c3noc(n3)C(F)(F)F)on1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 4
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Picornavirus replication inhibitor. Antiviral.
[General Description]

Pleconaril is a drug, that has antiviral activity.
[Pharmaceutical Applications]

An oxadiazole active against most enteroviruses and rhinoviruses. It binds to the hydrophobic pocket of the virus capsid protein VP1, inducing conformational changes that lead to altered receptor binding and viral uncoating. Concerns over safety and efficacy have constrained development of the drug.
[Biochem/physiol Actions]

Pleconaril is an effective drug against enteroviral infections. It can be used to treat chronic meningoencephalitis caused by echo virus 6.This can block viral replication by blocking the viral uncoating process and viral attachment to host cell receptors.
Spectrum DetailBack Directory
[Spectrum Detail]

PLECONARIL(153168-05-9)1HNMR
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