| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
KI: 8.6 μM (PFKFB4)[1]
5MPN targets PFKFB4 (6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4), a key enzyme that synthesizes fructose-2,6-bisphosphate (F2,6BP), a potent allosteric activator of 6-phosphofructo-1-kinase (PFK-1). PFKFB4 is involved in the regulation of glycolytic flux in cancer cells. By competitively inhibiting PFKFB4 at the F6P binding site with a Ki of 8.6 µM, 5MPN reduces F2,6BP levels, thereby decreasing PFK-1 activity and glycolytic flux. 5MPN shows no significant cross-reactivity with PFK-1 or PFKFB3. |
|---|---|
| ln Vitro |
5MPN (~30 μM; 24 hours; H460 cells) suppresses PFKFB4 expression[1]. Cell proliferation is subsequently inhibited by 5MPN (0~50 μM; 0~72 hours; H460 NSCLC cells), which first lowers the intracellular concentrations of F2,6BP, glycolysis, and ATP[1]. Cell apoptosis is induced by 5MPN (0 and 10 μM; 6, 12, and 24 hours; H460 cells)[1]. and 24 hours; H460 cells) halt the advancement of the cell cycle[1]. 5MPN (0.1, 1 or 10 µM) significantly inhibits PFKFB4 activity. 5MPN (H460 cells) leads to a dose-dependent decrease in the intracellular F2,6BP concentration. 5MPN (0~30 μM; over 48 hours; H460, H1299, H441, H522 and A549 cells) makes a dose-dependent reduction in cells growth. 5MPN (0~30 μM; 24 hours; H460 cells) inhibits PFKFB4 expression causing the observed reduction in H460 cell proliferation. 5MPN causes a G1 arrest in LLC cells in vitro similar to H460 cells[1].
In vitro, 5MPN demonstrates selective inhibition of PFKFB4 with a Ki of 8.6 µM in a kinase activity assay. The compound acts as a competitive inhibitor with respect to fructose-6-phosphate. 5MPN inhibits the proliferation of multiple human cancer cell lines by targeting tumor glucose metabolism. The compound shows concentration-dependent inhibition of PFKFB4 activity and cancer cell proliferation. It does not inhibit PFK-1 or PFKFB3 even at concentrations up to 10 µM. |
| ln Vivo |
5MPN (120 mg/kg; po) inhibits the growth of human lung adenocarcinoma xenografts H460 developed in athymic mice and Lewis lung carcinomas (LLC) grown in syngeneic animals without changing body weight[1]. Ki67-positive cells in the LLC xenografts decrease as a result of 5MPN, which may be preventing cell cycle progression in vivo[1].
In vivo activity data for 5MPN are limited, as the compound is primarily studied in vitro. Based on its PFKFB4 inhibitory mechanism and anti-proliferative activity, the compound is expected to inhibit tumor growth in animal models by disrupting glycolytic metabolism. However, detailed efficacy studies in animal models have not been extensively reported. The compound's potential for in vivo applications requires further investigation. |
| Enzyme Assay |
The in vitro enzyme inhibition assay for 5MPN typically involves measuring PFKFB4 kinase activity using a coupled enzyme assay. Recombinant human PFKFB4 is incubated with varying concentrations of 5MPN (0.01-1000 µM) in assay buffer containing ATP and fructose-6-phosphate at 37°C for 30-60 minutes. The reaction is stopped, and fructose-2,6-bisphosphate production is measured. Ki values are calculated from Lineweaver-Burk analysis.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: H460 cells Tested Concentrations: 0~30 μΜ Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited the expression of PFKFB4 . Cell Proliferation Assay[1] Cell Types: H460 NSCLC cells Tested Concentrations: 0~50 μM Incubation Duration: 0~72 hrs (hours) Experimental Results: Resulted in a reduction in cell proliferation. Apoptosis Analysis[1] Cell Types: H460 cells Tested Concentrations: 0 and 10 μM Incubation Duration: 6, 12 and 24 hrs (hours) Experimental Results: Induced cells apoptosis. Cell Cycle Analysis[1] Cell Types: H460 cells Tested Concentrations: 0 and 10 μM Incubation Duration: 6, 12 and 24 hrs (hours) Experimental Results: Arrested cell cycle progression. For in vitro cell-based assays, cancer cell lines are cultured and treated with 5MPN at concentrations ranging from 0.1-100 µM for 24-72 hours. Glycolytic flux is assessed by measuring glucose consumption and lactate production. Fructose-2,6-bisphosphate levels are measured in cell lysates. Cell proliferation is assessed using MTT, CCK-8, or colony formation assays. Cell viability and apoptosis are evaluated using standard assays. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice[1]
Doses: 120 mg/kg Route of Administration: Po Experimental Results: Suppressed the growth of Lewis lung carcinomas (LLC) grown in syngeneic mice and H460 human lung adenocarcinoma xenografts grown in athymic mice without affecting body weight. In vivo animal studies for 5MPN have not been extensively reported. Based on the compound's mechanism as a PFKFB4 inhibitor, potential in vivo studies would involve administration to tumor-bearing mouse models via oral gavage, intraperitoneal injection, or intravenous injection at doses ranging from 1-50 mg/kg. Tumor growth would be monitored by caliper measurements. Glycolytic metabolism would be assessed in tumor tissues. PFKFB4 activity and F2,6BP levels would be measured. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5MPN have not been fully characterized. The molecular formula is C₁₅H₁₉N₃O₄. The compound is a competitive inhibitor with a Ki of 8.6 µM. Detailed pharmacokinetic parameters such as bioavailability, half-life, and protein binding have not been reported. Stability in solution may be limited and fresh solutions should be prepared for each experiment.
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| Toxicity/Toxicokinetics |
Toxicology data for 5MPN are limited. As a research compound, it has not been systematically evaluated for safety. The compound's mechanism of PFKFB4 inhibition and glycolytic disruption suggests potential effects on cellular metabolism, which would require careful safety assessment. Standard toxicological endpoints including cell viability, genotoxicity, and organ toxicity should be evaluated. The compound is intended for research use only.
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| References | |
| Additional Infomation |
Inhibits PFKFB4 protein; structure can be found in the first article.
5MPN is a selective PFKFB4 inhibitor with a Ki of 8.6 µM. It competitively inhibits the F6P binding site and does not inhibit PFK-1 or PFKFB3. 5MPN reduces F2,6BP levels, disrupts glycolytic flux, and inhibits cancer cell proliferation. The compound is a valuable research tool for studying cancer metabolism and glycolytic regulation. It is intended for research use only and is not approved for therapeutic applications. |
| Molecular Formula |
C15H19N3O4
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|---|---|
| Molecular Weight |
305.33
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| Exact Mass |
305.137
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| CAS # |
47208-82-2
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| PubChem CID |
4060327
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| Appearance |
White to light yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
493.8±40.0 °C at 760 mmHg
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| Flash Point |
252.4±27.3 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.607
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| LogP |
3.59
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
22
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| Complexity |
337
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=CC2=C(C=CN=C21)NCCCCCO[N+](=O)[O-]
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| InChi Key |
YBOILUNNGBGURC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H19N3O4/c1-21-14-7-5-6-12-13(8-10-17-15(12)14)16-9-3-2-4-11-22-18(19)20/h5-8,10H,2-4,9,11H2,1H3,(H,16,17)
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| Chemical Name |
5-[(8-methoxyquinolin-4-yl)amino]pentyl nitrate
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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: 100 mg/mL (327.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.19 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 25.0 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: ≥ 2.5 mg/mL (8.19 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 25.0 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: ≥ 2.5 mg/mL (8.19 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: 20 mg/mL (65.50 mM) in Cremophor EL (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2751 mL | 16.3757 mL | 32.7514 mL | |
| 5 mM | 0.6550 mL | 3.2751 mL | 6.5503 mL | |
| 10 mM | 0.3275 mL | 1.6376 mL | 3.2751 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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