| Chemical & Physical Properties | |
|---|---|
| CAS Number | 153168-05-9 |
| Catalog No. | 2A-9060084 |
| Chinese Name | 普可那利 |
| Synonyms | Pleconaril; Picovir; Pleconarilis |
| Molecular Formula | C18H18F3N3O3 |
| Molecular Weight | 381.349 |
| Purity | 95% |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 481.2±55.0 °C at 760 mmHg |
| Melting Point | 61-62° |
| Appearance | white to beige |
| Water Solubility | DMSO: ≥10mg/mL (warmed) |
| Storage Condition | room temp |
| Application | Pleconaril is a capsid inhibitor that can be used to treat enteroviruses. Pleconaril effectively inhibits replication with an IC50 value of 50nM. |
| SMILES | Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 |
| InChI | 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 |
| InChI Key | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/60084_2_153168_05_9.pdf |
| Bioactivity | 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 >> Enterovirus Research 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) |
| Use of | Properties 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 Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Enterovirus Research 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 Molecular Formula C18H18F3N3O3 Exact Mass 381.130035 PSA 74.18000 Appearance of Characters white to beige Index of Refraction 1.509 InChIKey KQOXLKOJHVFTRN-UHFFFAOYSA-N Storage condition room temp |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (1,2,4-Oxadiazole, 3-[3,5-dimethyl-4-[3-(3-methyl-5- isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (1,2,4-Oxadiazole, 3-[3,5-dimethyl-4-[3-(3-methyl-5- isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-) International Air Transport Risk Regulations: Toxic solid, organic, n.o.s. (1,2,4-Oxadiazole, 3-[3,5-dimethyl-4-[3-(3-methyl-5- isoxazolyl)propoxy]phenyl]-5-(trifluoromethyl)-) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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