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2,5-Furandimethanol

Alias: 2,5-Furandimethanol
Cat No.:V64407 Purity: ≥98%
2,5-Furandimethanol is produced from 5-Hydroxymethylfurfural.
2,5-Furandimethanol
2,5-Furandimethanol Chemical Structure CAS No.: 1883-75-6
Product category: Plants
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
2,5-Furandimethanol is produced from 5-Hydroxymethylfurfural. 5-hydroxymethylfurfural is an important intermediate considered due to its rich chemical composition and potential utilization from carbohydrates such as fructose, glucose, sucrose, cellulose, and inulin.
2,5-Furandimethanol (2,5-Bis(hydroxymethyl)furan; CAS 1883-75-6) is a heterocyclic diol derived from the reduction of 5-hydroxymethylfurfural (HMF), a key biomass-derived platform chemical. It has the molecular formula C₆H₈O₃ and a molecular weight of 128.13 g/mol. The compound is a chemical intermediate and has a very wide application potential as a biomass-based furan derivative compound. It is also a metabolite of the medicinal fungus Phellinus linteus. The compound has demonstrated antioxidant and antibacterial activity and affects leukemia cells. 2,5-Furandimethanol can be used as a raw material to synthesize drug intermediates, nucleoside derivatives, crown ethers and furans, and can also be used as a solvent.
Biological Activity I Assay Protocols (From Reference)
Targets
2,5-Furandimethanol does not have a defined pharmacological receptor target. Its biological activities are attributed to its chemical properties as a furan derivative. It has demonstrated effects on leukemia cells and is used in fungal infection research.
ln Vitro
2,5-Furandimethanol exhibits antioxidant and antibacterial activity. It affects leukemia cells, suggesting potential anti-cancer properties. The compound's activities are likely related to its ability to interact with cellular redox systems and microbial membranes, though the exact mechanisms have not been fully elucidated. 5-hydroxymethylfurfural, as a building block, is considered an important intermediate due to its rich chemistry and potential availability from carbohydrates such as fructose, glucose, sucrose, cellulose and inulin.
ln Vivo
In vivo activity data for 2,5-Furandimethanol are limited. It has been shown to affect leukemia in experimental models, but detailed in vivo studies are not available in the published literature.
Enzyme Assay
Not applicable; 2,5-Furandimethanol is not evaluated in classical receptor binding assays. Its antioxidant activity can be assessed using standard radical scavenging assays such as DPPH or ABTS. Antibacterial activity is evaluated using agar diffusion or broth microdilution methods against bacterial and fungal pathogens.
Cell Assay
The effects of 2,5-Furandimethanol on leukemia cells can be evaluated in leukemia cell lines by measuring cell viability, proliferation, and apoptosis. Antibacterial and antifungal activities are assessed using standard microbiological techniques.
Animal Protocol
In vivo studies of 2,5-Furandimethanol would typically involve xenograft models of leukemia or infection models to evaluate its anti-cancer or anti-infective potential. However, specific protocols have not been reported in the available literature.
ADME/Pharmacokinetics
Pharmacokinetic data for 2,5-Furandimethanol have not been reported. As a small molecule, its absorption, distribution, metabolism, and excretion would depend on its physicochemical properties.
Toxicity/Toxicokinetics
No specific toxicity data have been reported for 2,5-Furandimethanol. As a biomass-derived compound, it is considered to have a favorable environmental profile. Standard laboratory safety precautions should be followed.
References

[1]. 5-Hydroxymethylfurfural (HMF) as a building block platform: Biological properties, synthesis and synthetic applications. Green Chemistry.

Additional Infomation
2,5-Furfural is a furan compound with hydroxymethyl substituents at positions 2 and 5. It belongs to the furan class and is also a diol. 2,5-Furfural has been reported to have been found in Clostridium wallichthys, and relevant data are available for reference.
2,5-Furandimethanol is a research compound, not an approved drug. It is primarily used as a building block for sustainable chemistry applications, including the synthesis of bio-based polyesters and drug intermediates. Its bio-based origin makes it valuable for green chemistry research. The compound is also used as a solvent and in the synthesis of nucleoside derivatives and crown ethers.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H8O3
Molecular Weight
128.13
Exact Mass
128.047
CAS #
1883-75-6
PubChem CID
74663
Appearance
Light yellow to brown solid
Density
1.3±0.1 g/cm3
Boiling Point
275.4±30.0 °C at 760 mmHg
Melting Point
74-77 ℃
Flash Point
120.3±24.6 °C
Vapour Pressure
0.0±0.6 mmHg at 25°C
Index of Refraction
1.543
LogP
-0.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Heavy Atom Count
9
Complexity
74.4
Defined Atom Stereocenter Count
0
SMILES
O1C(C([H])([H])O[H])=C([H])C([H])=C1C([H])([H])O[H]
InChi Key
DSLRVRBSNLHVBH-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
Chemical Name
[5-(hydroxymethyl)furan-2-yl]methanol
Synonyms
2,5-Furandimethanol
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

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
Solubility Data
Solubility (In Vitro)
H2O: 100 mg/mL (780.46 mM)
DMSO: 50 mg/mL (390.23 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.51 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 (19.51 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 7.8046 mL 39.0229 mL 78.0457 mL
5 mM 1.5609 mL 7.8046 mL 15.6091 mL
10 mM 0.7805 mL 3.9023 mL 7.8046 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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