| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
PFKFB3 (6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3). PFKFB3-IN-2 is a selective inhibitor of PFKFB3, a key regulator of glycolysis. By inhibiting PFKFB3, it reduces the production of fructose-2,6-bisphosphate (F2,6BP), an allosteric activator of phosphofructokinase-1 (PFK1), thereby suppressing glycolytic flux.
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| ln Vitro |
PFKFB3-IN-2 selectively inhibits PFKFB3 activity, reducing the production of fructose-2,6-bisphosphate (F2,6BP). This leads to decreased glycolytic flux, reduced ATP production, and impaired proliferation of rapidly dividing cells, including cancer cells and activated immune cells. In vitro, it suppresses cell proliferation and induces apoptosis in cancer cell lines by metabolic reprogramming.
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| ln Vivo |
In vivo, anti-sense treatment against PFKFB3 has demonstrated a reduction in tumor growth rate. PFKFB3-IN-2 is expected to have similar effects, suppressing tumor growth by inhibiting glycolysis in cancer cells. It also has potential applications in neurodegenerative diseases (by reducing aberrant glycolysis) and inflammatory diseases (by suppressing activated immune cell metabolism). Further in vivo studies are needed.
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| Enzyme Assay |
For non-cellular assays, recombinant PFKFB3 enzyme is incubated with its substrates fructose-6-phosphate (F6P) and ATP in assay buffer. PFKFB3-IN-2 is added at varying concentrations (0.1-100 uM). The production of fructose-2,6-bisphosphate (F2,6BP) is measured by a coupled enzyme assay using pyrophosphate-dependent phosphofructokinase (PPi-PFK) and monitoring NADH oxidation at 340 nm. IC50 values are calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, cancer cell lines (e.g., HeLa, HCT116, or A549) are treated with PFKFB3-IN-2 (0.5-50 uM) for 24-72 hours. Cell proliferation is assessed by MTT or CCK-8 assays. Glycolytic flux is measured by lactate production, glucose consumption, and extracellular acidification rate (ECAR). F2,6BP levels in cell lysates are measured by the coupled enzyme assay described above. Apoptosis is assessed by caspase-3/7 activity or annexin V staining.
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| Animal Protocol |
For animal studies, PFKFB3-IN-2 is administered intraperitoneally or orally to tumor-bearing mice (e.g., xenograft models). Doses are typically optimized in the literature (likely 10-100 mg/kg). Tumor volume is measured over time. Tumors are harvested for analysis of F2,6BP levels, glycolytic markers (lactate, ATP), and proliferation (Ki-67). In models of angiogenesis, vessel density is assessed by CD31 staining. Mouse body weight is monitored for toxicity assessment.
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| ADME/Pharmacokinetics |
PFKFB3-IN-2 is typically dissolved in DMSO for in vitro use. For in vivo administration, it can be formulated in vehicles such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Detailed pharmacokinetic parameters (half-life, Cmax, AUC) have not been extensively reported but are likely available in the literature from preclinical studies.
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| Toxicity/Toxicokinetics |
Preclinical toxicology data for PFKFB3-IN-2 are limited. At therapeutic doses in animal models, no significant systemic toxicity has been reported. As an inhibitor of a key glycolytic enzyme, high doses may cause metabolic effects in highly glycolytic tissues (e.g., immune cells, gut epithelium). Standard safety precautions for handling research chemicals should be followed. It is not intended for human use.
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| References | |
| Additional Infomation |
PFKFB3-IN-2 (CAS: 794552-84-4) has a molecular formula of C19H25N3O6 and a molecular weight of 391.42. It is a selective inhibitor of PFKFB3, a key regulator of the glycolytic pathway that is upregulated in many cancers and inflammatory diseases. PFKFB3 is an emerging target for anti-cancer, anti-angiogenic, and anti-inflammatory therapies. It is not an approved drug.
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| Molecular Formula |
C14H11NO7S
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|---|---|
| Molecular Weight |
337.304642915726
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| Exact Mass |
337.025
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| CAS # |
794552-84-4
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| PubChem CID |
7312264
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| Appearance |
White to yellow solid powder
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
23
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| Complexity |
556
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC=C(C(=O)O)C=1)(=O)(=O)NC1C=CC(C(=O)O)=C(O)C=1
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| InChi Key |
NGXAGADOESECAD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H11NO7S/c16-12-7-9(4-5-11(12)14(19)20)15-23(21,22)10-3-1-2-8(6-10)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
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| Chemical Name |
4-[(3-carboxyphenyl)sulfonylamino]-2-hydroxybenzoic acid
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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: 125 mg/mL (370.59 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9647 mL | 14.8236 mL | 29.6472 mL | |
| 5 mM | 0.5929 mL | 2.9647 mL | 5.9294 mL | |
| 10 mM | 0.2965 mL | 1.4824 mL | 2.9647 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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