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KAN0438757 PFKFB inhibitor

Cat.No.S0400

KAN0438757 is a potent and selective inhibitor of the metabolic kinase PFKFB3 (6-Phosphofructo-2-Kinase/Fructose-2,6-Biphosphatase 3) with IC50 of 0.19 μM and 3.6 μM for PFKFB3 and PFKFB4, respectively.
KAN0438757 PFKFB inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 447.43

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Quality Control

Batch: S040001 DMSO]7 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.37%
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  • COA
  • NMR
  • HPLC
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  • Datasheet
99.37

Solubility

In vitro
Batch:

DMSO : 7 mg/mL (15.64 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

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Mass Concentration Volume Molecular Weight
Dilution Calculator Molecular Weight Calculator

In vivo
Batch:

In vivo Formulation Calculator (Clear solution)

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid 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 master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Chemical Information, Storage & Stability

Molecular Weight 447.43 Formula

C21H18FNO7S

 Storage (From the date of receipt) 3 years -20°C powder
CAS No. 1451255-59-6 -- Storage of Stock Solutions

Synonyms N/A Smiles C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCCO)O)C3=C(C=CC(=C3)F)O

Mechanism of Action

Targets/IC50/Ki
PFKFB3
(Cell-free assay)
0.19 μM
PFKFB4
(Cell-free assay)
3.6 μM
In vitro

A PFKFB3 inhibitor, KAN0438757, which selectively inhibits proliferation of transformed cells while sparing non-transformed cells. Inhibition of PFKFB3 enzymatic activity by this compound impairs IR-induced recruitment of ribonucleotide reductase (RNR) M2 and deoxynucleotide incorporation upon DNA repair.
Kinase Assay
ADP-GloTM Kinase Assay
First, after the kinase reaction, an equal volume of ADP-GloTM Reagent was added to terminate the kinase reaction and deplete the remaining ATP. Second, the Kinase Detection Reagent was added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. The light generated was measured. The assay was performed in white 384-well plates by consecutive additions of a test compound solution, enzyme solution and substrate. Controls in the absence of inhibitor, 100 nM of an in-house inhibitor, and 49.5 µM of an in-house inhibitor were included in the plate. The final concentrations of all reagents per well were 50 mM Tris HCl at pH 8.0, 10 mM MgCl2, 5 mM NaPi at pH 8.0, 81.48 nM PFKFB3 or 145 nM PFKFB4, 8 µM ATP, 100 µM F6P (acid treated and then neutralized to remove any contaminating F-2,6-P2), 0.005% Tween-20 and 1 mM dithiothreitol. Enzyme, compounds, and controls were pre-incubated at room temperature for 15 min before the addition of substrate solution. The enzymatic reaction was allowed to proceed for 20 min and the reaction was terminated by the addition of ADP-GloTM Reagent (10 µL) to all wells followed by 40 min incubation at room temperature. After addition of Kinase Detection Reagent (20 µL) to all wells, the plate was incubated for 30 min at room temperature, followed by measurement. All plates were centrifuged after each addition.
In vivo

In vivo administration of KAN0438757 in mice is well tolerated and does not trigger major systemic or toxic alterations.
References

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