| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Levoglucosenone does not have a specific biological target; it is a synthetic intermediate. However, its derivatives have been studied for various activities, including anticancer, antiviral, and antimicrobial properties. The compound itself is used as a starting material for synthesizing chiral ligands, enzyme inhibitors, and drug candidates. Its reactivity stems from the α,β-unsaturated carbonyl system.
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|---|---|
| ln Vitro |
In vitro, Levoglucosenone itself has limited biological activity; it is primarily used as a precursor. Some derivatives have shown moderate cytotoxic activity against cancer cell lines. For example, certain amino derivatives have IC50 values in the micromolar range. However, Levoglucosenone is not typically evaluated in standard biological assays as a drug candidate.
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| ln Vivo |
No specific in vivo activity data is available for Levoglucosenone itself. As a synthetic intermediate, it is not administered to animals for therapeutic purposes. Its derivatives may be tested in vivo, but the parent compound is not.
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| Enzyme Assay |
As a chemical intermediate, Levoglucosenone is not subjected to cell-free receptor binding assays. It may be used as a substrate in enzymatic reactions, such as reduction or epoxidation, to study biocatalysis. For example, its reduction by alcohol dehydrogenases can be monitored by UV spectroscopy.
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| Cell Assay |
Cell-based assays are not typically performed with Levoglucosenone due to its lack of direct biological activity. However, if tested, standard cytotoxicity assays (MTT) on cancer cell lines could be conducted, but such data is not commonly reported.
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| Animal Protocol |
No in vivo animal experiments are conducted with Levoglucosenone as a therapeutic agent. It is used as a starting material in the synthesis of drug candidates, which are then tested in animal models. For instance, a Levoglucosenone-derived compound might be evaluated in a mouse model of cancer.
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| ADME/Pharmacokinetics |
Levoglucosenone is a small molecule with log P ~0.5, good solubility, and stability. It is not intended for systemic administration. Its pharmacokinetics are irrelevant as it is not a drug. If administered, it would likely be rapidly metabolized, but no data exists.
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| Toxicity/Toxicokinetics |
Levoglucosenone is considered a low-toxicity compound. In handling, it may cause skin and eye irritation. No chronic toxicity data is available. It is classified as a hazardous chemical due to its flammability and reactivity. It is not for human consumption.
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| Additional Infomation |
L-glucanone is a dehydrated hexose and deoxyketone hexose.
Levoglucosenone is a chiral building block with molecular formula C6H6O2 and molecular weight 110.11. It is derived from renewable biomass and is used in green chemistry. It is a versatile synthon for the synthesis of natural products, sugars, and pharmaceuticals. It is available from chemical suppliers for research and development. |
| Molecular Formula |
C6H6O3
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|---|---|
| Molecular Weight |
126.1100
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| Exact Mass |
126.031
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| CAS # |
37112-31-5
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| PubChem CID |
699486
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| Appearance |
Light yellow to yellow liquid（Density：1.329±0.06 g/cm3）
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
254.4±40.0 °C at 760 mmHg
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| Flash Point |
98.2±13.8 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.517
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| LogP |
-0.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
173
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O1[C@]2([H])C(C([H])=C([H])[C@@]1([H])C([H])([H])O2)=O
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| InChi Key |
HITOXZPZGPXYHY-UJURSFKZSA-N
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| InChi Code |
InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
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| Chemical Name |
(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~100 mg/mL (~792.96 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.82 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.82 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 25.0 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: ≥ 2.5 mg/mL (19.82 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 | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 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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