≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vapendavir diphosphate (BTA798 diphosphate) is a potent enteroviral capsid binder (CB). Vapendavir diphosphate (BTA798 diphosphate) possesses potent antiviral activity for enterovirus 71 (EV71) replication, with EC 50 values of 0.5-1.4 μM in different EV71 strains
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. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:EC50: 0.5-1.4 μM (EV71 strains)
| Canonical Smiles | CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C.OP(=O)(O)O.OP(=O)(O)O |
|---|---|
| IUPAC Name | 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;phosphoric acid |
| InChIKey | MIUFDXZDQWMWRR-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C.OP(=O)(O)O.OP(=O)(O)O |
| Alternate CAS | 1198151-75-5 |
| PubChem CID | 44474071 |
| Molecular Weight | 578.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzisoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzisoxazoles |
| Alternative Parents | Phenol ethers Dialkylarylamines Aminopyridazines Alkyl aryl ethers Piperidines Organic phosphoric acids and derivatives Imidolactams Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzisoxazole - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Aminopyridazine - Organic phosphoric acid derivative - Imidolactam - Benzenoid - Pyridazine - Piperidine - Azole - Heteroaromatic compound - Isoxazole - Tertiary amine - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. |
| External Descriptors | Not available |
| Solubility | DMSO : 6.75 mg/mL (11.67 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 578.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 7 |
| Exact Mass | 578.154 Da |
| Monoisotopic Mass | 578.154 Da |
| Topological Polar Surface Area | 229.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 524.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
