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PK150

Alias: PK-150
Cat No.:V40109 Purity: ≥98%
PK150 (PK-150; PK 150), a Sorafenib analog, is an oral bioavailable antibacterial agent with activity against pathogenic strains at submicromolar concentrations.
PK150
PK150 Chemical Structure CAS No.: 2165324-62-7
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
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.
Biological Activity I Assay Protocols (From Reference)
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.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H8CLF5N2O3
Molecular Weight
394.68
CAS #
2165324-62-7
Appearance
Typically exists as solids (or liquids in special cases) at room temperature
SMILES
ClC1C=CC(=CC=1C(F)(F)F)NC(NC1C=CC2=C(C=1)OC(O2)(F)F)=O
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)
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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • Antibacterial properties of SFN and PK150.[1].Nat Chem. 2019 Dec 16.
  • Target identification by chemical proteomic profiling in S. aureus.[1].Nat Chem. 2019 Dec 16.
  • Validation of cellular targets with putative roles in the antibiotic mechanism.[1].Nat Chem. 2019 Dec 16.
  • Structure activity relationship study of SFN and mode of action analysis by chemical proteomics.[1].Nat Chem. 2019 Dec 16.
  • Field emission scanning and transmission electron micrographs of S. aureus NCTC 8325.[1].Nat Chem. 2019 Dec 16.
  • In-depth analysis of SFN-resistant S. aureus isolates and accompanying consequences for compound-induced SpsB stimulation.[1].Nat Chem. 2019 Dec 16.
  • Pharmacokinetic and pharmacodynamic parameters of PK150 and in vivo efficacy.[1].Nat Chem. 2019 Dec 16.
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