2-Hydroxy-4-methylbenzenesulphonic acid ammonium is an impurity in Policyresulen. Policresulen is a potent NS2B/NS3 protease inhibitor (antagonist) with IC50 of 0.48 μg/mL. Polircresulen effectively inhibits the replication of DENV2 virus in BHK-21 cells with IC50 of 4.99 μg/mL. Poliresulen is a competitive inhibitor of proteases and slightly affects protease stability.

Physicochemical Properties

Molecular Formula	C7H11NO4S
Molecular Weight	205.23
Exact Mass	205.041
CAS #	79093-71-3
PubChem CID	3018802
Appearance	White to off-white solid powder
Boiling Point	444.2ºC at 760 mmHg
Flash Point	222.5ºC
LogP	2.352
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Complexity	227
Defined Atom Stereocenter Count	0
InChi Key	KGBVTRPJPQHXSU-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H8O4S.H3N/c1-5-2-3-7(6(8)4-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3
Chemical Name	azanium;2-hydroxy-4-methylbenzenesulfonate
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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]. Policresulen, a novel NS2B/NS3 protease inhibitor, effectively inhibits the replication of DENV2 virus in BHK-21 cells. Acta Pharmacol Sin. 2015 Sep;36(9):1126-36.

Solubility Data

Solubility (In Vitro)

DMSO : 125 mg/mL (609.07 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (10.13 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 (10.13 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (10.13 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	4.8726 mL	24.3629 mL	48.7258 mL
	5 mM	0.9745 mL	4.8726 mL	9.7452 mL
	10 mM	0.4873 mL	2.4363 mL	4.8726 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.