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Vapendavir

Vapendavir

  • CAT Number: R031259
  • CAS Number: 439085-51-5
  • Molecular Formula: C21H26N4O3
  • Molecular Weight: 382.464
  • Purity: ≥95%
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Vapendavir is a capsid binder (CB). Vapendavir efficiently inhibit the in vitro replication of 21 EV71 strains/isolates that are representative of the different genogroups A, B, and C.

Catalog Number R031259
CAS Number 439085-51-5
Synonyms

BTA 798; 3-Ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,2-benzisoxazole

Molecular Formula

C21H26N4O3

Purity 95%
Storage -20°C
IUPAC Name 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
InChI InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
InChIKey DKSVBVKHUICELN-UHFFFAOYSA-N
SMILES CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C
Reference

1:Antimicrob Agents Chemother. 2014 Nov;58(11):6990-2. doi: 10.1128/AAC.03328-14. Epub 2014 Sep 8. The capsid binder Vapendavir and the novel protease inhibitor SG85 inhibit enterovirus 71 replication.Tijsma A,Franco D,Tucker S,Hilgenfeld R,Froeyen M,Leyssen P,Neyts J, PMID: 25199773 PMCID: PMC4249361 DOI: 10.1128/AAC.03328-14 </br><span>Abstract:</span> Antivirals against enterovirus 71 (EV71) are urgently needed. We demonstrate that the novel enteroviral protease inhibitor (PI) SG85 and capsid binder (CB) vapendavir efficiently inhibit the in vitro replication of 21 EV71 strains/isolates that are representative of the different genogroups A, B, and C. The PI rupintrivir, the CB pirodavir, and the host-targeting compound enviroxime, which were included as reference compounds, also inhibited the replication of all isolates. Remarkably, the CB compound pleconaril was devoid of any anti-EV71 activity. An in silico docking study revealed that pleconaril-unlike vapendavir and pirodavir-lacks essential binding interactions with the viral capsid. Vapendavir and SG85 (or analogues) should be further explored for the treatment of EV71 infections. The data presented here may serve as a reference when developing yet-novel inhibitors. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

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