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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
PKM2 activator 2 targets pyruvate kinase M2 (PKM2), a key enzyme in glycolysis that catalyzes the conversion of phosphoenolpyruvate (PEP) to pyruvate. PKM2 is a rate-limiting enzyme in glycolysis and is often dysregulated in cancer cells, contributing to the Warburg effect. By activating PKM2 with an AC50 of 66 nM, the compound promotes the conversion of PEP to pyruvate, enhancing glycolytic flux and potentially restoring normal glucose metabolism. This activation can have anti-tumor effects by inhibiting cancer cell proliferation.
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| ln Vitro |
PKM2 causes an increase in the availability of glycolytic intermediates, which are necessary for the production of lipids, amino acids, and nucleic acids—the building blocks of cells—in cancer cells. On the other hand, tumors and cancer cell lines show downregulated expression of PKM2 and its dimeric form [1]. In a luciferase-coupled test, PKM2 Activator 2 (Compound 28) has an AC50 value of 66 nM, making it a highly potent activator of pyruvate kinase [1].
In vitro, PKM2 activator 2 is a highly potent activator of pyruvate kinase M2 (PKM2). Its activity is characterized by an AC50 value of 66 nM in a luciferase-coupled assay. The compound promotes enhanced glycolysis and can restore normal glycolytic metabolism in cells. It has anti-tumor proliferation effects. The compound's activity is dose-dependent, and its potency makes it a valuable tool for studying the role of PKM2 in cancer metabolism. |
| ln Vivo |
In vivo, PKM2 activator 2 has anti-tumor proliferation effects. By activating PKM2, the compound can restore normal glucose metabolism in cells and potentially inhibit tumor growth. It may alleviate the Warburg effect, a hallmark of cancer metabolism. The compound's in vivo effects are mediated through the activation of PKM2 and the subsequent modulation of glycolytic metabolism. Further studies in animal models are needed to confirm its in vivo efficacy and safety.
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| Enzyme Assay |
In vitro enzyme assays for PKM2 activator 2 involve measuring the activation of pyruvate kinase M2 (PKM2) activity. The enzyme is incubated with its substrate, phosphoenolpyruvate (PEP), and ADP in a buffer solution. The production of pyruvate is measured using a coupled enzyme assay, such as the luciferase-coupled assay. Varying concentrations of the compound are added to the reaction mixture, and the enzyme activity is measured. The AC50 value, representing the concentration required to achieve 50% of the maximal activation, is calculated from the dose-response curve.
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| Cell Assay |
In vitro cell-based assays for PKM2 activator 2 are performed to study its effects on cellular metabolism and proliferation. Cells are treated with varying concentrations of the compound, and the glycolytic rate is measured by assessing lactate production or oxygen consumption. The compound's effects on cell proliferation are assessed using standard assays such as MTT or by counting cell numbers. The compound's ability to restore normal glycolytic metabolism can be studied by measuring the levels of glycolytic intermediates. The compound is typically dissolved in DMSO and diluted in cell culture medium for treatment.
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| Animal Protocol |
Specific in vivo animal experiment protocols for PKM2 activator 2 are not detailed in the available literature. However, as a potential anti-tumor agent, it would likely be tested in tumor xenograft models in mice. In such studies, tumor-bearing mice would be administered the compound orally or intraperitoneally. Tumor growth would be monitored, and the compound's efficacy would be evaluated by comparing tumor growth in treated versus control groups. The compound's effects on tumor metabolism could also be assessed.
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| ADME/Pharmacokinetics |
PKM2 activator 2 has a molecular weight of 452.49 g/mol and the formula C20H18F2N2O4S2. It is a diarylsulfonamide (DASA) class molecule. The compound is soluble in DMSO. For long-term storage, the compound is kept as a powder at -20°C. Its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion, have not been extensively characterized in the available literature. However, its solubility in DMSO suggests it could be formulated for in vivo administration.
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| Toxicity/Toxicokinetics |
Specific toxicological data for PKM2 activator 2 are not provided in the available sources. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment. Its purity is typically high (e.g., 99.38%).
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| References | |
| Additional Infomation |
1-(2,6-difluorophenyl)sulfonyl-4-(2-naphthylsulfonyl)piperazine is a sulfonic acid derivative belonging to the naphthalene class of compounds.
PKM2 activator 2 is a small molecule activator of pyruvate kinase M2 (PKM2). It has the molecular formula C20H18F2N2O4S2 and a molecular weight of 452.49 g/mol. The compound is a diarylsulfonamide (DASA) class molecule. It activates PKM2 with an AC50 value of 66 nM in a luciferase-coupled assay. By activating PKM2, the compound promotes enhanced glycolysis and can restore normal glycolytic metabolism in cells. It has anti-tumor proliferation effects and may alleviate the Warburg effect. The compound is intended for research use only. |
| Molecular Formula |
C20H18F2N2O4S2
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|---|---|
| Molecular Weight |
452.49472951889
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| Exact Mass |
452.067
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| CAS # |
1186660-06-9
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| PubChem CID |
25243723
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| Appearance |
White to off-white solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
794
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(S(C2=C(F)C=CC=C2F)(=O)=O)CCN(S(C2=CC=C3C(=C2)C=CC=C3)(=O)=O)CC1
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| InChi Key |
LLOHMBFPOYWAIL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18F2N2O4S2/c21-18-6-3-7-19(22)20(18)30(27,28)24-12-10-23(11-13-24)29(25,26)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
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| Chemical Name |
1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~5 mg/mL (~11.05 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.60 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 | 2.2100 mL | 11.0500 mL | 22.0999 mL | |
| 5 mM | 0.4420 mL | 2.2100 mL | 4.4200 mL | |
| 10 mM | 0.2210 mL | 1.1050 mL | 2.2100 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.
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.
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