Vapendavir | BTA-798 | CAS#439085-51-5 | Capsid Binder

MedKoo Cat#: 319739 | Name: Vapendavir

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Vapendavir, also known as BTA-798, 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.

Chemical Structure

Vapendavir

CAS#439085-51-5 (free base)

Theoretical Analysis

MedKoo Cat#: 319739

Name: Vapendavir

CAS#: 439085-51-5 (free base)

Chemical Formula: C21H26N4O3

Exact Mass: 382.2005

Molecular Weight: 382.46

Elemental Analysis: C, 65.95; H, 6.85; N, 14.65; O, 12.55

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

439085-51-5 (free base) 1198151-75-5 (phosphate)

Synonym

Vapendavir; BTA-798; BTA798; BTA 798

IUPAC/Chemical Name

3-ethoxy-6-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzo[d]isoxazole

InChi Key

DKSVBVKHUICELN-UHFFFAOYSA-N

InChi Code

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

SMILES Code

CC1=NN=C(N2CCC(CCOC3=CC=C4C(OCC)=NOC4=C3)CC2)C=C1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO, not in water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 382.46 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Sun L, Meijer A, Froeyen M, Zhang L, Thibaut HJ, Baggen J, George S, Vernachio J, van Kuppeveld FJ, Leyssen P, Hilgenfeld R, Neyts J, Delang L. Antiviral Activity of Broad-Spectrum and Enterovirus-Specific Inhibitors against Clinical Isolates of Enterovirus D68. Antimicrob Agents Chemother. 2015 Dec;59(12):7782-5. doi: 10.1128/AAC.01375-15. Epub 2015 Sep 14. PubMed PMID: 26369972; PubMed Central PMCID: PMC4649165. 2: Tijsma A, Franco D, Tucker S, Hilgenfeld R, Froeyen M, Leyssen P, Neyts J. The capsid binder Vapendavir and the novel protease inhibitor SG85 inhibit enterovirus 71 replication. Antimicrob Agents Chemother. 2014 Nov;58(11):6990-2. doi: 10.1128/AAC.03328-14. Epub 2014 Sep 8. PubMed PMID: 25199773; PubMed Central PMCID: PMC4249361.