| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3-Furanmethanol exhibits weak binding activity toward rat hepatic aryl sulfotransferase (AST IV). AST IV is an enzyme involved in the sulfation and detoxification of various xenobiotics and endogenous compounds. The compound's weak binding suggests it may have a minor modulatory effect on this enzyme. It does not have other well-defined biological targets.
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|---|---|
| ln Vitro |
In vitro, 3-furanmethanol is used as a biochemical reagent and in drug synthesis research. It belongs to the furan compound class and has a wide range of sensory properties. It efficiently undergoes photocycloaddition reactions with 2-cyanonaphthalenes with high regioselectivity. It also reacts with proteins and other biomolecules, which can be used in toxicity studies.
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| ln Vivo |
3-Furanmethanol is not a pharmacologically active drug and does not exhibit established in vivo therapeutic activity. Its primary use is as a chemical reagent and intermediate in organic synthesis and biochemical experiments. It is not administered to animals in pharmacological studies and has no known physiological effects.
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| Enzyme Assay |
In vitro assays for 3-furanmethanol focus on its chemical properties rather than receptor binding. A standard protocol for studying its reactivity involves photocycloaddition reactions with 2-cyanonaphthalenes. The conformational properties of this molecule are studied using NMR spectra, while its hydrogen bonding interactions are determined by infrared spectroscopy. For toxicity studies, its reaction with proteins is assessed.
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| Cell Assay |
Cell-based experiments are not performed with 3-furanmethanol as a test compound for biological activity. When used to synthesize drug candidates, those products may be tested in cell culture. The intermediate itself is not evaluated in cellular systems.
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| Animal Protocol |
In vivo animal studies are not conducted with 3-furanmethanol, as it is a research reagent for chemical synthesis. When used to synthesize drug candidates, those final products undergo standard preclinical evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-furanmethanol are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 98.1, soluble in DMSO at 80 mg/mL), the compound would be expected to have moderate bioavailability. However, it is not intended for human exposure.
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| Toxicity/Toxicokinetics |
3-Furanmethanol may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood. The compound should be stored at -20°C for long-term storage.
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| References |
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| Additional Infomation |
It has been reported that ginseng contains 3-furanol, and relevant data is available for reference.
3-Furanmethanol is a volatile furan compound with sensory properties and is used in biochemical experiments and drug synthesis. It undergoes photocycloaddition reactions and reacts with proteins. It has not undergone clinical trials and is not approved as a pharmaceutical. |
| Molecular Formula |
C5H6O2
|
|---|---|
| Molecular Weight |
98.10
|
| Exact Mass |
98.036
|
| CAS # |
4412-91-3
|
| PubChem CID |
20449
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
180.3±0.0 °C at 760 mmHg
|
| Flash Point |
38.3±0.0 °C
|
| Vapour Pressure |
0.6±0.3 mmHg at 25°C
|
| Index of Refraction |
1.493
|
| LogP |
0.2
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
7
|
| Complexity |
54
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OCC1=COC=C1
|
| InChi Key |
STJIISDMSMJQQK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
|
| Chemical Name |
furan-3-ylmethanol
|
| Synonyms |
3-Furanmethanol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (1019.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (12.74 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 12.5 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: ≥ 1.25 mg/mL (12.74 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 12.5 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: ≥ 1.25 mg/mL (12.74 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 | 10.1937 mL | 50.9684 mL | 101.9368 mL | |
| 5 mM | 2.0387 mL | 10.1937 mL | 20.3874 mL | |
| 10 mM | 1.0194 mL | 5.0968 mL | 10.1937 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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