| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| 1g |
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| 5g |
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| 10g |
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| Other Sizes |
| Targets |
Ethynylferrocene has no specific biological target. It is not intended for therapeutic or pharmacological use. In research, it is a synthetic building block for the preparation of ferrocene-containing polymers and sensors. The alkyne group allows for "click chemistry" (copper-catalyzed azide-alkyne cycloaddition) to attach the redox-active ferrocene moiety to biomolecules or surfaces for electrochemical sensing applications. It is also used to modify electrodes for the detection of hydrogen peroxide or glucose. It has no inherent protein binding activity.
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| ln Vitro |
In vitro, Ethynylferrocene is not used in cell-based assays for drug discovery. It is an electrochemical probe. The compound is coated onto glassy carbon electrodes via polymerization or electrodeposition. In a solution containing a target analyte (e.g., glucose in PBS buffer), the modified electrode generates a current signal (oxidation/reduction of Fe2+/Fe3+) measured by cyclic voltammetry or amperometry. It is used to build biosensors. It is not cytotoxic in the low concentrations used for electrode modification, but direct exposure to living cells is rare. Ferrocene-containing polymers act as redox mediators in enzyme-based glucose sensors.
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| ln Vivo |
In vivo, Ethynylferrocene is not administered to animals. It is strictly a material science and chemistry reagent. There are no efficacy studies in animal models of disease. Potential biomedical applications involve ex vivo sensing, such as in a microfluidic chip or a wearable sensor patch, but the compound itself is not injected or ingested. It is used for the synthesis of ferrocene-based potential anticancer drugs, but it is not the active pharmaceutical ingredient.
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| Enzyme Assay |
General protocol for in vitro electrode preparation: Clean a glassy carbon electrode by polishing with 0.05 um alumina slurry and rinsing with water. Dissolve 5 mM Ethynylferrocene in 10 mL of 0.1 M tetrabutylammonium hexafluorophosphate in acetonitrile. Perform electrodeposition by cyclic voltammetry scanning from -0.5 V to +1.2 V at 50 mV/s for 10 cycles to form a poly(ethynylferrocene) film on the electrode. Rinse with acetonitrile. To test the sensor, immerse the modified electrode in PBS (pH 7.4) containing 1 mM glucose and 10 U/mL glucose oxidase. Measure the amperometric current at +0.5 V vs. Ag/AgCl. The ferrocene mediator shuttles electrons from the enzyme to the electrode, generating a current proportional to glucose concentration. This protocol is for biosensor development, not biological activity.
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| Cell Assay |
General protocol for in vitro cell-based experiments: For a ROS-sensing experiment, coat a 96-well plate with a mixture of carbon nanotubes and Ethynylferrocene (1:1 ratio, 10 ug total). Add 1×10^4 HeLa cells to each well in DMEM + 10% FBS. Incubate for 24 h. Wash, and add 10 uM DCFH-DA. Expose cells to 100 uM H2O2 for 1 h. Read fluorescence (Ex/Em 485/535 nm). The ferrocene coating may reduce background fluorescence but does not interact with cellular metabolism.
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| Animal Protocol |
General protocol for in vivo animal experiments: Not applicable for efficacy. There is no standard protocol for administering this compound to animals for biological studies. It is used to synthesize ferrocenyl compounds that are later tested in cell lines for anticancer activity. The compound itself is not used.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: Ethynylferrocene (MW 210.05) is not a pharmaceutical, so no PK/ADME data are available. As a ferrocene derivative, it is highly lipophilic (LogP ~2.5). It is insoluble in water but soluble in organic solvents (ethanol, acetonitrile, dichloromethane). It has a melting point of 55-59degC. It is relatively stable in air but may oxidize slowly. For storage, the solid should be kept in a cool, dry place, protected from light. It should be stored at 4degC or -20degC for long-term storage. It is supplied as an orange to brown powder or crystals.
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| Toxicity/Toxicokinetics |
General toxicity profile: Ethynylferrocene is a chemical reagent and is not intended for human consumption. It is classified as a possible skin, eye, and respiratory irritant. The acute oral toxicity is likely low (LD50 > 1000 mg/kg in rats, based on similar organometallics). There is no data on carcinogenicity. Standard safety precautions for handling organometallic compounds should be followed: wear gloves, lab coat, and safety glasses; use a fume hood to avoid inhaling dust or vapors. It is for research use only. It is considered a non-hazardous material for transport, but as a powder, it poses a dust explosion risk. Waste should be disposed of according to local regulations for heavy metal waste (contains iron).
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| References | |
| Additional Infomation |
Structure in the first source
Ethynylferrocene is also known as Ferrocenylacetylene or (2-Ethynylcyclopentadienyl)cyclopentadienyliron. It is a key precursor for the synthesis of various functional materials, including ferrocene-based polymers and metal-organic frameworks. It is used as a starting material for the preparation of ferrocenyl triazoles via click chemistry. The product is for research use only and not for clinical applications. It is a versatile building block for redox-switchable materials and molecular electronics. It is soluble in dichloromethane and DMSO. Typically stored at 2-8degC. |
| Molecular Formula |
C12H10FE
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|---|---|
| Molecular Weight |
210.05
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| Exact Mass |
210.013
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| CAS # |
1271-47-2
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| Related CAS # |
33410-56-9
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| PubChem CID |
71311525
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| Appearance |
Orange to reddish brown solid powder
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
13
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| Complexity |
99.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C#CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2]
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| InChi Key |
BXSUNBWPHNMDRM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+2
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| Chemical Name |
cyclopenta-1,3-diene;2-ethynylcyclopenta-1,3-diene;iron(2+)
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| Synonyms |
ferroceneacetylene; Ferrocenylacetylene; Ferrocenylethyne
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.7608 mL | 23.8039 mL | 47.6077 mL | |
| 5 mM | 0.9522 mL | 4.7608 mL | 9.5215 mL | |
| 10 mM | 0.4761 mL | 2.3804 mL | 4.7608 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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