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| Other Sizes |
| Targets |
Fosfructose trisodium octahydrate acts as an inhibitor of bacterial acetate kinase and an allosteric activator of PKM2 (pyruvate kinase M2), exhibiting neuroprotective effects. As a key intermediate in glycolysis and gluconeogenesis, it interacts with multiple metabolic enzymes in the carbohydrate metabolism pathway. The compound's primary targets include acetate kinase in bacteria and PKM2 in mammalian cells. By activating PKM2, it can influence cellular metabolism and energy production. The compound's neuroprotective effects suggest potential therapeutic applications in neurological conditions.
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| ln Vitro |
In vitro, fosfructose trisodium octahydrate is used as a biochemical reagent to study carbohydrate metabolism. It acts as an inhibitor of bacterial acetate kinase and an allosteric activator of PKM2. The compound exhibits neuroprotective effects in cell-based assays. It is used in metabolic enzyme studies to investigate glycolysis and gluconeogenesis pathways. Cellular assays typically evaluate its effects on metabolic flux, enzyme activity, and cell viability. The compound's ability to modulate PKM2 activity makes it valuable for studying cancer metabolism and neuroprotection.
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| ln Vivo |
In vivo, fosfructose trisodium octahydrate has been indicated for the treatment of hypophosphatemia. The compound's role as a metabolic intermediate suggests it can influence glucose metabolism and energy production in vivo. Its neuroprotective effects have been observed in animal models. The compound is used in research to study metabolic disorders and neurological conditions. As a phosphorylated sugar, it is involved in the regulation of glycolytic flux. The compound is classified for research use and as a pharmaceutical ingredient for specific indications.
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| Enzyme Assay |
In vitro enzyme assays for fosfructose trisodium octahydrate typically evaluate its activity as a PKM2 activator or acetate kinase inhibitor. A standard assay protocol involves incubating the compound with purified enzymes (PKM2 or acetate kinase) in appropriate buffer systems containing substrates (phosphoenolpyruvate for PKM2, acetyl phosphate for acetate kinase). The compound is dissolved in water or buffer and diluted to working concentrations. Enzyme activity is measured by quantifying product formation using coupled enzyme assays or spectrophotometric methods. EC₅₀ or IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for fosfructose trisodium octahydrate typically evaluate its effects on metabolism and neuroprotection. A standard protocol involves culturing neuronal or cancer cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound. Metabolic flux is assessed by measuring lactate production, glucose consumption, or oxygen consumption rate. PKM2 activity is evaluated by measuring pyruvate kinase activity in cell lysates. Neuroprotective effects are assessed by measuring cell viability after oxidative stress or excitotoxicity. EC₅₀ values are calculated.
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| Animal Protocol |
In vivo animal studies for fosfructose trisodium octahydrate typically evaluate its neuroprotective effects or metabolic effects. A common protocol involves administering the compound to rodents via intravenous injection or oral gavage at doses determined from preliminary studies. Animal models of neurological disorders (e.g., stroke, traumatic brain injury) or metabolic disorders are used. Neurological outcomes (e.g., infarct size, behavioral tests), metabolic parameters (blood glucose, lactate), and tissue biochemistry are evaluated. The compound's pharmacokinetics and safety are also assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for fosfructose trisodium octahydrate indicates it is a water-soluble compound with a molecular weight of 550.18 g/mol. It is administered intravenously for the treatment of hypophosphatemia. The compound is a phosphorylated sugar that is rapidly metabolized in the body. It is stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 1 year. The compound is soluble in water at 40 mg/mL. As a metabolic intermediate, it is involved in glycolysis and gluconeogenesis. Specific ADME data is limited.
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| Toxicity/Toxicokinetics |
Fosfructose trisodium octahydrate is generally considered safe for research use and as a pharmaceutical ingredient. The compound is classified for research use only and is not intended for human consumption outside of approved indications. Standard safety precautions include handling with appropriate personal protective equipment in a well-ventilated area. The compound should be stored in a dry, cool place. Acute toxicity data is limited. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
See also: Fosfructose Trisodium (note moved to).
Fosfructose trisodium octahydrate (D-Fructose-1,6-diphosphate trisodium salt octahydrate, CAS 81028-91-3) is a biochemical reagent and metabolic enzyme compound. It has the molecular formula C₆H₂₇Na₃O₂₀P₂ and a molecular weight of 550.18 g/mol. The compound is an intermediate in carbohydrate metabolism, participating in glycolysis and gluconeogenesis. It is an inhibitor of bacterial acetate kinase and an allosteric activator of PKM2, exhibiting neuroprotective effects. The compound is classified as a research-use-only compound and is available from multiple commercial suppliers. |
| Molecular Formula |
C6H27NA3O20P2
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|---|---|
| Molecular Weight |
550.18
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| Exact Mass |
550.026
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| CAS # |
81028-91-3
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| Related CAS # |
488-69-7 (Parent)
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| PubChem CID |
90264
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| Appearance |
White to off-white solid powder
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| Boiling Point |
722.6ºC at 760 mmHg
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| Flash Point |
390.8ºC
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
24
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| Complexity |
387
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| Defined Atom Stereocenter Count |
3
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| SMILES |
[C@@H](O)([C@H](O)COP(O)(O)=O)[C@H](O)C(=O)COP(O)(O)=O.[Na].O
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| InChi Key |
CEHGLSKJDFICTB-PWVOXRODSA-K
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| InChi Code |
InChI=1S/C6H14O12P2.3Na/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-3/t3-,5-,6-;;;/m1.../s1
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| Chemical Name |
trisodium;[(3S,4R,5R)-3,4,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-2-oxohexyl] phosphate
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
H2O: 50 mg/mL (90.88 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 | 1.8176 mL | 9.0879 mL | 18.1759 mL | |
| 5 mM | 0.3635 mL | 1.8176 mL | 3.6352 mL | |
| 10 mM | 0.1818 mL | 0.9088 mL | 1.8176 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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