PK150, an analogue of Sorafenib, shows oral bioavailability and antibacterial activity against several pathogenic strains at submicromolar concentrations. Microorganisms with Gram-positive The three types of S. aureus are Methicillin-sensitive (MSSA), Methicillin-resistant (MRSA), and Vancomycin intermediate (VISA), with MIC values of 0.3, 0.3-1, and 0.3 µM, respectively.

Physicochemical Properties

Molecular Formula	C15H8CLF5N2O3
Molecular Weight	394.68
Exact Mass	394.014
CAS #	2165324-62-7
PubChem CID	132190620
Appearance	Typically exists as solid at room temperature
LogP	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	26
Complexity	536
Defined Atom Stereocenter Count	0
InChi Key	SHPYXCLUNMOJOB-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H8ClF5N2O3/c16-10-3-1-7(5-9(10)14(17,18)19)22-13(24)23-8-2-4-11-12(6-8)26-15(20,21)25-11/h1-6H,(H2,22,23,24)
Chemical Name	1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
Synonyms	PK-150
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	MSSA(MIC= 0.3 µM);MRSA(MIC= 0.3-1µM);VISA(MIC= 0.3 µM)
ln Vivo	Using a mouse bloodstream infection model, the in vivo effectiveness of PK150 against methicillin-sensitive S. aureus (MSSA) (strain SH1000) is shown. The liver and heart have much lower bacterial loads when treated with PK150 (20 mg/kg; p.o.).In mice, PK150 (10 and 20 mg/kg orally; or 10 mg/kg intravenously) does not manifest any overt toxicity. For later therapeutic models, higher intravenous dosages of 20 mg/kg are avoided due to their severe toxic effects[1].
Animal Protocol	Animal Model: Pathogen-free 9-week old female C57BL/6J mice[1] Dosage: 20 mg/kg Administration: Administered p.o. Result: Both the liver and the heart had markedly decreased bacterial loads, which had decreased by about 100 times.
References	[1]. Repurposing human kinase inhibitors to create an antibiotic active against drug-resistant Staphylococcus aureus, persisters and biofilms. Nat Chem. 2019 Dec 16.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~633.42 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.27 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 (5.27 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	2.5337 mL	12.6685 mL	25.3370 mL
	5 mM	0.5067 mL	2.5337 mL	5.0674 mL
	10 mM	0.2534 mL	1.2668 mL	2.5337 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.