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| 5mg |
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| Targets |
AZ-PFKFB3-67 is an inhibitor of PFKFB3, a metabolic kinase involved in the regulation of glycolysis. PFKFB3 produces fructose-2,6-bisphosphate, a potent activator of phosphofructokinase-1 (PFK-1), a rate-limiting enzyme in glycolysis. By inhibiting PFKFB3, the compound reduces fructose-2,6-bisphosphate levels, thereby suppressing glycolytic flux in cancer cells.
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| ln Vitro |
In vitro, AZ-PFKFB3-67 inhibits PFKFB3 activity, reducing the production of fructose-2,6-bisphosphate. This leads to decreased glycolytic flux and reduced ATP production in cancer cells. The compound shows selectivity for PFKFB3 over other isoforms. It inhibits cancer cell proliferation and induces apoptosis in sensitive cell lines. Detailed IC50 values are available in the primary literature.
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| ln Vivo |
In vivo, AZ-PFKFB3-67 has been studied in animal models of cancer. By inhibiting PFKFB3, it disrupts tumor metabolism and may reduce tumor growth. The compound has favorable pharmacokinetic properties that support in vivo efficacy. Detailed in vivo data including tumor growth inhibition and biomarker modulation are available in preclinical literature.
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| Enzyme Assay |
In vitro enzyme assays for AZ-PFKFB3-67 typically involve measuring the inhibition of recombinant human PFKFB3 enzyme. The enzyme is incubated with varying concentrations of the compound, and activity is measured by monitoring the production of fructose-2,6-bisphosphate or by coupled enzyme assays. IC50 values are calculated from dose-response curves. Selectivity over other PFKFB isoforms is also assessed.
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| Cell Assay |
Cell-based assays for AZ-PFKFB3-67 involve culturing cancer cell lines in appropriate media. Cells are treated with the compound at concentrations ranging from 0.01 µM to 10 µM for 24-72 hours. Cell viability is assessed by MTT or CellTiter-Glo assays. Metabolic flux and fructose-2,6-bisphosphate levels are measured. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining.
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| Animal Protocol |
In vivo animal experiments for AZ-PFKFB3-67 typically involve administration to tumor-bearing mice via oral gavage or intraperitoneal injection. Tumor growth inhibition is monitored. Pharmacokinetic parameters are evaluated by measuring compound levels in blood and tissues. Target engagement is assessed by measuring fructose-2,6-bisphosphate levels in tumor tissues. Toxicity is assessed by monitoring body weight and organ histology.
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| ADME/Pharmacokinetics |
As a small molecule PFKFB3 inhibitor, AZ-PFKFB3-67 has favorable pharmacokinetic properties. It is expected to have moderate lipophilicity and oral bioavailability. Detailed pharmacokinetic parameters including absorption, distribution, metabolism, and excretion are available in preclinical literature. The compound shows good metabolic stability and suitable half-life for in vivo studies.
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| Toxicity/Toxicokinetics |
No detailed toxicology data are specifically available for AZ-PFKFB3-67 from the search results. As a metabolic kinase inhibitor, potential toxicity may include effects on normal glucose metabolism. Comprehensive toxicological evaluation including acute, subchronic, and genotoxicity studies has likely been conducted in preclinical development. Standard laboratory safety precautions should be followed.
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| Additional Infomation |
AZ-PFKFB3-67 (CAS#: 1704741-11-6) is a PFKFB3 inhibitor belonging to the same chemical series as AZ-PFKFB3-26. PFKFB3 is a key metabolic enzyme upregulated in cancer cells. By inhibiting PFKFB3, this compound disrupts cancer cell metabolism. It is a research tool for studying cancer metabolism and is not an approved therapeutic agent.
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| Molecular Formula |
C26H25N5O3
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|---|---|
| Molecular Weight |
455.508405447006
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| Exact Mass |
455.195
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| CAS # |
1704741-11-6
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| Related CAS # |
AZ-PFKFB3-67 quarterhydrate
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| PubChem CID |
91668554
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
763
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=C(C(=NO1)C)CN2C=C(C3=C2C=CC(=C3)OC4=CC=C(C=C4)NC(=O)[C@@H]5CCCN5)C#N
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| InChi Key |
NDIKFKQBWGMLCA-DEOSSOPVSA-N
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| InChi Code |
InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1
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| Chemical Name |
(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
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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 : ≥ 250 mg/mL (~548.84 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 | 2.1953 mL | 10.9767 mL | 21.9534 mL | |
| 5 mM | 0.4391 mL | 2.1953 mL | 4.3907 mL | |
| 10 mM | 0.2195 mL | 1.0977 mL | 2.1953 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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