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Vapendavir diphosphate

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Category Enterovirus (EV)
CAS 1198151-75-5
Description Vapendavir diphosphate, an effective enterovirus capsid binder (CB), has strong antiviral activity against the replication of enterovirus 71 (EV71) with EC50s of 0.5-1.4 μM in different EV71 strains.
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Product Information

Synonyms BTA798 diphosphate; 1,2-Benzisoxazole, 3-ethoxy-6-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)-, phosphate (1:2); 3-Ethoxy-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzo[d]isoxazole bis(phosphate); 3-Ethoxy-6-{2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy}-1,2-benzoxazole phosphate (1:2)
IUPAC Name 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;phosphoric acid
Molecular Weight 578.45
Molecular Formula C21H32N4O11P2
Canonical SMILES CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C.OP(=O)(O)O.OP(=O)(O)O
InChI InChI=1S/C21H26N4O3.2H3O4P/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;2*1-5(2,3)4/h4-7,14,16H,3,8-13H2,1-2H3;2*(H3,1,2,3,4)
InChIKey MIUFDXZDQWMWRR-UHFFFAOYSA-N
Purity ≥98%
Solubility Soluble in DMSO
Appearance Light yellow to yellow (Solid)
Storage Store at 2-8°C, sealed storage, away from moisture
In Vitro Vapendavir (BTA798) efficiently inhibit the in vitro replication of 21 EV71 strains/isolates that are representative of the different genogroups A, B, and C.
Target EC50: 0.5-1.4 μM (EV71 strains)

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