| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
1,4-Dioxane-2,5-diol targets endogenous metabolic pathways as an endogenous metabolite. As a derivative of glycolaldehyde, it is involved in the formose reaction and the synthesis of glycine. It is an active endogenous metabolite.
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|---|---|
| ln Vitro |
In vitro, 1,4-Dioxane-2,5-diol is an active endogenous metabolite that appears moderately absorbent and fluorescent when it reacts with glycine and ammonium sulfate. It is a derivative of glycolaldehyde, the precursor to important compounds such as the amino acid glycine. The compound is used in studies of the formose reaction and prebiotic chemistry.
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| ln Vivo |
In vivo, 1,4-Dioxane-2,5-diol is an endogenous metabolite. As a derivative of glycolaldehyde, it is involved in the formose reaction and the synthesis of glycine. Further in vivo studies are needed to characterize its full physiological role and metabolic fate.
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| Enzyme Assay |
In vitro enzyme assays for 1,4-Dioxane-2,5-diol metabolism involve incubating the compound with enzymes such as glycolaldehyde dehydrogenase or transketolase in buffer at pH 7.4. Reaction products (glycolate, glycine) are quantified by HPLC or LC-MS/MS. The compound's reactivity with glycine and ammonium sulfate can be monitored by fluorescence spectroscopy.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with 1,4-Dioxane-2,5-diol at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay. Metabolic effects are analyzed by targeted metabolomics using LC-MS/MS. The compound's effects on glycine synthesis and formose reaction pathways can be evaluated by measuring glycolaldehyde and glycine levels.
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| Animal Protocol |
For in vivo animal studies, 1,4-Dioxane-2,5-diol is administered to rodents via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. The compound and its metabolites are quantified by LC-MS/MS. Metabolic profiling is performed to understand its disposition and role in glycine synthesis and formose reaction pathways.
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| ADME/Pharmacokinetics |
1,4-Dioxane-2,5-diol (MW 120.10) has a molecular formula of C4H8O4. It is soluble in water and organic solvents. The compound is stable under standard storage conditions. As an endogenous metabolite, it is absorbed and metabolized through normal metabolic pathways. It is a derivative of glycolaldehyde and is involved in the formose reaction.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As an endogenous metabolite, it is expected to have low toxicity at physiological concentrations. Standard safety precautions should be followed.
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| Additional Infomation |
Ethanol aldehyde dimer belongs to the dioxane class of compounds.
1,4-Dioxane-2,5-diol (CAS# 23147-58-2) is an endogenous metabolite and research reagent used primarily in studies of the formose reaction, glycine synthesis, and prebiotic chemistry. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used in metabolic research and studies of prebiotic chemistry. It is an active endogenous metabolite. |
| Molecular Formula |
C4H8O4
|
|---|---|
| Molecular Weight |
120.10
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| Exact Mass |
120.042
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| CAS # |
23147-58-2
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| PubChem CID |
186078
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
312.4±42.0 °C at 760 mmHg
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| Melting Point |
~85 °C
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| Flash Point |
142.8±27.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.514
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| LogP |
-0.75
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
64.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C(OCC(O1)O)O
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| InChi Key |
ATFVTAOSZBVGHC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
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| Chemical Name |
1,4-dioxane-2,5-diol
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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 (1040.80 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (17.32 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 20.8 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: ≥ 2.08 mg/mL (17.32 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 20.8 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: ≥ 2.08 mg/mL (17.32 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3264 mL | 41.6320 mL | 83.2639 mL | |
| 5 mM | 1.6653 mL | 8.3264 mL | 16.6528 mL | |
| 10 mM | 0.8326 mL | 4.1632 mL | 8.3264 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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