| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
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Purity: ≥98%
| Targets |
PFKFB3 (IC50 = 155 nM)
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|---|---|
| ln Vitro |
3PO does not inhibit the activity of purified PFK-1; instead, it inhibits the PFKFB3 isozyme mainly through competition with Fru-6-P. When compared to normal human bronchial epithelial cells, 3PO selectively cytostatically affects ras-transformed human bronchial epithelial cells, thereby significantly attenuating the proliferation of several human malignant hematopoietic and adenocarcinoma cell lines (IC50, 1.4-24 μmol/L). 3PO can result in phase arrest in G2-M[1].
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| ln Vivo |
When tumor-bearing mice are given 3PO intraperitoneally (0.07 mg/g), the intracellular concentration of Fru-2,6-BP, the uptake of glucose, and the growth of established tumors are all significantly reduced in vivo. It inhibits leukemia, lung adenocarcinoma, and breast adenocarcinoma cells' ability to grow tumorigenic in vivo[1]. After intravenously administering 3PO to C57Bl/6 mice, the following PK properties are investigated: clearance CL=2312 mL/min/kg, T1/2=0.3 hr, Cmax=113 ng/ml, and AUC0-inf=36 ng/hr/ml. According to reports, 3PO exhibits strong activity against a leukemia mouse model that is highly relevant[2].
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| Enzyme Assay |
PFKFB3 Enzymatic Assays[1]
PFKFB3 protein activity was measured by an enzyme-coupled kinetics assay incorporating pyruvate kinase and lactate dehydrogenase as described previously. Control reactions for 3PO inhibition contained increasing amounts of 3PO without addition of PFKFB3. The enzyme kinetics module for SigmaPlot 9.0 was used to calculate the kinetic variables for PFKFB3 and 3PO inhibition (Vmax, Km, and Ki). The data represented are the mean ± SD from triplicate measurements from two independent experiments. Generation of FLAG-PFKFB3 Construct for Mammalian Expression[1] FLAG-PFKFB3 containing the complete PFKFB3 coding sequence and FLAG epitope at its NH2 terminus was subcloned into the BamHI/HindIII restriction sites within the retroviral Tet response vector pRevTRE. Recombinant retrovirus was produced by Lipofectamine-mediated transfection of the pRevTRE-FLAG-PFKFB3 construct into PT67 packaging cell lines. To create Jurkat cell lines that have stably integrated and express inducible FLAG-PFKFB3, the cells were infected with recombinant retrovirus containing FLAG-PFKFB3, and stable clones were selected in the presence of 400 μg/mL hygromycin. |
| Cell Assay |
In RPMI 1640 supplemented with 10% fetal bovine serum and 50 μg/mL gentamicin sulfate, Jurkat cells are plated at a density of 1 × 105/mL. The cells are treated with either vehicle or 10 μmol/L 3PO for a duration of 0, 4, 8, 16, 24, or 36 hours. The cell cycle is analyzed.
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| Animal Protocol |
tumor bearing mice (BALB/c nude mice or C57Bl/6 female mice background)
0.07 mg/g i.p. |
| References | |
| Additional Infomation |
3PO is a member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an autophagy inducer, an apoptosis inducer and an EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor. It is a member of pyridines and an enone.
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| Molecular Formula |
C13H10N2O
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|---|---|
| Molecular Weight |
210.2313
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| Exact Mass |
210.079
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| Elemental Analysis |
C, 74.27; H, 4.79; N, 13.33; O, 7.61
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| CAS # |
18550-98-6
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| Related CAS # |
18550-98-6; 13309-08-5
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| PubChem CID |
5720233
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
387.8±42.0 °C at 760 mmHg
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| Flash Point |
191.3±34.3 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.637
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| LogP |
1.51
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
257
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(/C(/[H])=C(\[H])/C1=C([H])N=C([H])C([H])=C1[H])C1C([H])=C([H])N=C([H])C=1[H]
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| InChi Key |
UOWGYMNWMDNSTL-ONEGZZNKSA-N
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| InChi Code |
InChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
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| Chemical Name |
(E)-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
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| Synonyms |
3PO; 3-PO;
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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: 4~60 mg/mL (199.8~285.4 mM)
Ethanol: ~11 mg/mL (52.3 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (14.27 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 30.0 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: ≥ 3 mg/mL (14.27 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 30.0 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. View More
Solubility in Formulation 3: ≥ 3 mg/mL (14.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 2% DMSO+40% PEG 300+2% Tween 80+ddH2O: 2mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7567 mL | 23.7835 mL | 47.5670 mL | |
| 5 mM | 0.9513 mL | 4.7567 mL | 9.5134 mL | |
| 10 mM | 0.4757 mL | 2.3783 mL | 4.7567 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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