| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
3-Ethynylpyridine does not have a defined pharmacological target of its own, as it is a synthetic intermediate and click chemistry reagent. The compound is used in proteomics research as an alkynyl-substituted pyridine compound and for the preparation of palladium complexes. Its terminal alkyne group enables bioconjugation and labeling applications through click chemistry.
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|---|---|
| ln Vitro |
In vitro, 3-ethynylpyridine is primarily used as a chemical reagent and synthetic intermediate. It is a click chemistry reagent containing an alkyne group that can undergo CuAAC with azide-containing compounds. The compound is used in proteomics research as an alkynyl-substituted pyridine compound and for the preparation of palladium complexes for X-ray crystallography and vibrational spectroscopy studies.
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| ln Vivo |
In vivo activity data for 3-ethynylpyridine itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor and click chemistry reagent used in the synthesis of bioconjugates and drug candidates that may be subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final compounds derived from its ethynylpyridine scaffold.
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| Enzyme Assay |
For in vitro click chemistry reactions, 3-ethynylpyridine is used in CuAAC reactions with azide-containing compounds. Standard protocols involve dissolving the compound in an appropriate solvent (e.g., DMSO, DMF) and reacting it with an azide in the presence of a copper catalyst (e.g., CuSO₄, sodium ascorbate) at room temperature or slightly elevated temperatures. The reaction is monitored by TLC or HPLC. The resulting triazole products can be used for bioconjugation and labeling applications.
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| Cell Assay |
For in vitro cell-based experiments, 3-ethynylpyridine is not typically used directly in cell culture. It is a click chemistry reagent used for bioconjugation and labeling applications. The compound may be used in the synthesis of probes or drug candidates that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound.
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| Animal Protocol |
In vivo animal studies using 3-ethynylpyridine are conducted on the final compounds synthesized from it, not on the intermediate itself. For bioconjugates or drug candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. Standard in vivo protocols involve administration to rodents via oral gavage or intravenous injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-ethynylpyridine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 103.12 g/mol, which is very favorable for oral bioavailability. The terminal alkyne may influence metabolic stability. The pyridine nitrogen may be subject to N-oxidation or other metabolic transformations. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
3-Ethynylpyridine is a research chemical and should be handled with appropriate laboratory safety precautions. As a pyridine derivative, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
3-Ethynylpyridine (3-Pyridylacetylene) (CAS 2510-23-8) is primarily a research-grade chemical intermediate and click chemistry reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a click chemistry reagent for CuAAC reactions with azides, in proteomics research, and for the preparation of palladium complexes. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C7H5N
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|---|---|
| Molecular Weight |
103.12
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| Exact Mass |
103.042
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| CAS # |
2510-23-8
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| PubChem CID |
186003
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
170.5±13.0 °C at 760 mmHg
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| Melting Point |
39-40 °C(lit.)
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| Flash Point |
57.5±12.4 °C
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| Vapour Pressure |
1.9±0.3 mmHg at 25°C
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| Index of Refraction |
1.543
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| LogP |
0.91
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
8
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| Complexity |
109
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C#CC1=CC=CN=C1
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| InChi Key |
CLRPXACRDTXENY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
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| Chemical Name |
3-ethynylpyridine
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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: 100 mg/mL (969.74 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.24 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 (24.24 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 (24.24 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 | 9.6974 mL | 48.4872 mL | 96.9744 mL | |
| 5 mM | 1.9395 mL | 9.6974 mL | 19.3949 mL | |
| 10 mM | 0.9697 mL | 4.8487 mL | 9.6974 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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