Flaviviruses-IN-3 (compound 87) is a potent inhibitor of flaviviruses. Flaviviruses-IN-3 can reduce the activity of WNV (West Nile virus) protease with an inhibition rate of 54%.

Physicochemical Properties

Molecular Formula	C26H23N3O4S
Molecular Weight	473.54
Exact Mass	473.14
CAS #	420090-97-7
PubChem CID	1358755
Appearance	Off-white to light yellow solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.653
LogP	4.09
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	34
Complexity	810
Defined Atom Stereocenter Count	0
InChi Key	BFDIEQUQKQXLAS-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
Chemical Name	N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Flavivirus inhibitors and methods for their use. WO2010039538.

Solubility Data

Solubility (In Vitro)

DMSO : 125 mg/mL (263.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.39 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1118 mL	10.5588 mL	21.1175 mL
	5 mM	0.4224 mL	2.1118 mL	4.2235 mL
	10 mM	0.2112 mL	1.0559 mL	2.1118 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.