| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
YZ-9 targets PFKFB3 (6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3), a key enzyme in the regulation of glycolysis. PFKFB3 synthesizes fructose-2,6-bisphosphate (Fru-2,6-BP), a potent allosteric activator of 6-phosphofructo-1-kinase (PFK-1), the rate-limiting enzyme of glycolysis. By inhibiting PFKFB3, YZ-9 reduces Fru-2,6-BP levels, thereby inhibiting glycolysis and reducing ATP production in cancer cells.
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|---|---|
| ln Vitro |
YZ-9 is a potent PFKFB3 inhibitor with an IC50 of 0.183 µM. It is a competitive inhibitor of Fru-6-P with a Ki of 0.094 µM. YZ-9 inhibits HeLa cell growth with a GI50 of 2.7 µM. The compound is cell-permeable. By inhibiting PFKFB3, YZ-9 reduces glycolysis and ATP production, which can lead to reduced cancer cell proliferation and survival.
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| ln Vivo |
In vivo activity data for YZ-9 are not extensively detailed, but as a PFKFB3 inhibitor, it is expected to exhibit antitumor activity in animal models by inhibiting glycolysis in cancer cells. PFKFB3 inhibitors are being investigated for their potential in cancer therapy. Specific in vivo efficacy studies and animal model data are not specified in the public domain. The compound is intended for research use.
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| Enzyme Assay |
The in vitro enzyme assay for YZ-9 typically involves measuring the inhibition of PFKFB3 enzymatic activity. Recombinant PFKFB3 enzyme is incubated with varying concentrations of YZ-9 (typically 0.001-100 µM) in the presence of substrates (fructose-6-phosphate and ATP). The enzymatic activity is measured by monitoring the formation of fructose-2,6-bisphosphate using coupled enzyme assays or by radiometric methods. The IC50 (0.183 µM) and Ki (0.094 µM) values are determined from the inhibition data.
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| Cell Assay |
In vitro cellular assays for YZ-9 typically involve treating cancer cell lines (such as HeLa cells) with the compound at concentrations ranging from 0.001 to 10 µM for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. Glycolysis is assessed by measuring glucose consumption and lactate production. Fru-2,6-BP levels are measured in cell lysates. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for YZ-9 are not extensively documented. For potential in vivo applications, the compound could be administered to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Tumor xenograft models could be used to evaluate antitumor efficacy. Tumor growth is monitored by caliper measurements. Glycolysis and PFKFB3 activity in tumors would be assessed. The compound's pharmacokinetics and pharmacodynamics would be evaluated in these models.
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| ADME/Pharmacokinetics |
YZ-9 has a molecular weight of 234.20 g/mol and formula C12H10O5. It appears as a white to off-white solid powder with a density of 1.4±0.1 g/cm³, melting point of 170-174°C, and boiling point of 448.3°C. LogP is 1.85. It is soluble in DMSO (~25 mg/mL). Recommended storage is powder at -20°C for 3 years. The compound is also known as ethyl 7-hydroxy-2-oxochromene-3-carboxylate.
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| Toxicity/Toxicokinetics |
YZ-9 is intended for research use only and is not approved for human therapeutic applications. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. As a PFKFB3 inhibitor targeting glycolysis, the compound may affect normal cellular metabolism, which could contribute to potential toxicity. Appropriate safety precautions should be taken when handling.
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| Additional Infomation |
YZ-9 (CAS 6093-71-6) is a potent PFKFB3 inhibitor with an IC50 of 0.183 µM and a competitive inhibitor of Fru-6-P with a Ki of 0.094 µM. It has a molecular weight of 234.20 g/mol and formula C12H10O5. YZ-9 inhibits HeLa cell growth with a GI50 of 2.7 µM. It is used in research on glycolysis and cancer metabolism. The compound is also known as YZ9 and ethyl 7-hydroxy-2-oxochromene-3-carboxylate. It is not approved for clinical use.
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| Molecular Formula |
C12H10O5
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|---|---|
| Molecular Weight |
234.2048
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| Exact Mass |
234.052
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| CAS # |
6093-71-6
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| PubChem CID |
5289613
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
448.3±45.0 °C at 760 mmHg
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| Melting Point |
170.0 to 174.0 °C
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| Flash Point |
178.7±22.2 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.598
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| LogP |
1.85
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
360
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C(C(=O)OC([H])([H])C([H])([H])[H])=C([H])C2C([H])=C([H])C(=C([H])C1=2)O[H])=O
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| InChi Key |
IETDBZQIWIJQJG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
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| Chemical Name |
ethyl 7-hydroxy-2-oxochromene-3-carboxylate
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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 : ~25 mg/mL (~106.75 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (10.67 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2699 mL | 21.3493 mL | 42.6985 mL | |
| 5 mM | 0.8540 mL | 4.2699 mL | 8.5397 mL | |
| 10 mM | 0.4270 mL | 2.1349 mL | 4.2699 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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