ZK824190 is an orally bioavailable, selective urokinase plasminogen activator (uPA) inhibitor for use in multiple sclerosis research. The IC50 of ZK824190 against uPA, tPA and Plasmin are 237, 1600 and 1850 nM respectively.

Physicochemical Properties

Molecular Formula	C23H22F2N2O4
Molecular Weight	428.428593158722
Exact Mass	428.15
Elemental Analysis	C, 64.48; H, 5.18; F, 8.87; N, 6.54; O, 14.94
CAS #	2254001-81-3
Related CAS #	ZK824190 hydrochloride;2629177-12-2
PubChem CID	69496820
Appearance	Solid powder
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	31
Complexity	584
Defined Atom Stereocenter Count	1
InChi Key	CVNXUNVHFJANHX-HXUWFJFHSA-N
InChi Code	InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
Chemical Name	(2R)-2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoropyridin-2-yl]oxybutanoic acid
Synonyms	ZK-824190; ZK 824190; ZK824859
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

Targets	uPA (IC50 = 237 nM); tPA (IC50 = 1600 nM); Plasmin (IC50 = 1850 nM)
ln Vivo	ZK824190 (2 mg/kg; PO) has a half-life of 2.8 hours and a comparatively high oral availability[1].
Animal Protocol	Rats with experimental autoimmune encephalomyelitis (EAE) model[1] 2 mg/kg (Pharmacokinetic Analysis) PO
References	[1]. Discovery of selective urokinase plasminogen activator (uPA) inhibitors as a potential treatment for multiple sclerosis. Bioorg Med Chem Lett. 2018 Nov 1;28(20):3372-3375.

Solubility Data

Solubility (In Vitro)

DMSO: ~86 mg/mL (~207.5 mM) Ethanol: ~86 mg/mL (~207.5 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.02 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 (5.02 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	2.3341 mL	11.6705 mL	23.3410 mL
	5 mM	0.4668 mL	2.3341 mL	4.6682 mL
	10 mM	0.2334 mL	1.1671 mL	2.3341 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.