SID-852843 is a WNV NS2B-NS3 protease inhibitor. SID-852843 can inhibit WNV NS2B-NS3 protease activity with IC50 of 0.105 μM. SID-852843 can be used for research on viral infections.

Physicochemical Properties

Molecular Formula	C17H15N3O5S
Molecular Weight	373.38
Exact Mass	373.073
Elemental Analysis	C, 54.69; H, 4.05; N, 11.25; O, 21.42; S, 8.59
CAS #	909859-19-4
PubChem CID	655490
Appearance	Off-white to light yellow solid powder
LogP	3.592
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	26
Complexity	580
Defined Atom Stereocenter Count	0
InChi Key	FQICFDBMQBCJDT-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
Chemical Name	[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoate
Synonyms	909859-19-4; MLS000033898; ML024; SID-852843
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

ln Vitro	SID-852843 has an IC50 value of 0.105 μM, which is sufficient to block WNV NS2B-NS3 protease activity[1].
References	[1]. Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5773-7.
Additional Infomation	Benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester is a benzoate ester.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (267.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.70 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6782 mL	13.3912 mL	26.7824 mL
	5 mM	0.5356 mL	2.6782 mL	5.3565 mL
	10 mM	0.2678 mL	1.3391 mL	2.6782 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.