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

Physicochemical Properties

Molecular Formula	C22H21CLF2N2O4
Molecular Weight	450.86
Exact Mass	450.115
CAS #	2629177-12-2
Related CAS #	ZK824190;2254001-81-3
PubChem CID	154856816
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	31
Complexity	555
Defined Atom Stereocenter Count	1
SMILES	C(=O)([C@H](OC1C(=CC(F)=C(OC2=CC=CC(C3C=CC=C(CN)C=3)=C2)N=1)F)CC)O.Cl
InChi Key	IXYNABONTFZVBF-FSRHSHDFSA-N
InChi Code	InChI=1S/C22H20F2N2O4.ClH/c1-2-19(22(27)28)30-21-18(24)11-17(23)20(26-21)29-16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-25;/h3-11,19H,2,12,25H2,1H3,(H,27,28);1H/t19-;/m1./s1
Chemical Name	(2R)-2-[6-[3-[3-(aminomethyl)phenyl]phenoxy]-3,5-difluoropyridin-2-yl]oxybutanoic acid;hydrochloride
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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 Vivo	ZK824190 (2 mg/kg; PO; EAE model rat) displays relatively high oral availability and modest half-life (T1/2=2.8 h) [1].
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 : ~100 mg/mL (~221.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.54 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.54 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 25.0 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: ≥ 2.5 mg/mL (5.54 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 25.0 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	2.2180 mL	11.0899 mL	22.1798 mL
	5 mM	0.4436 mL	2.2180 mL	4.4360 mL
	10 mM	0.2218 mL	1.1090 mL	2.2180 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.