| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
Sodium 4-pentynoate targets histone deacetylases (HDACs). By inhibiting HDACs, the compound increases histone acetylation, which can alter chromatin structure and gene expression. The alkyne group of the compound enables click-chemistry labeling of acylated proteins, making it a valuable tool for studying protein acetylation and HDAC function.
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| ln Vitro |
In order to do dose- and time-dependent metabolic labeling in Jurkat T cells, sodium 4-pentynoate (0.01-10 mM; 0.5-8 h) is employed [1].
In vitro, sodium 4-pentynoate is used as an inhibitor of HDACs and as a metabolic tracer. It is used for dose- and time-dependent metabolic labeling in Jurkat T cells at concentrations of 0.01-10 mM for 0.5-8 hours. The compound's alkyne group allows for click-chemistry labeling of acylated proteins, enabling their detection and enrichment. |
| ln Vivo |
In vivo, sodium 4-pentynoate is used as a chemical probe to study protein acetylation and HDAC function in animal models. The compound can be administered to animals to label acetylated proteins in vivo, allowing for the analysis of protein acetylation dynamics in different tissues. Its HDAC inhibitory activity may also have pharmacological effects, although detailed in vivo studies are limited.
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| Enzyme Assay |
For in vitro labeling protocols, sodium 4-pentynoate is added to cell culture media at concentrations of 0.01-10 mM for 0.5-8 hours. After labeling, cells are harvested and lysed. The alkyne-labeled proteins are conjugated to azide-modified biotin or fluorophores via copper-catalyzed click chemistry. Labeled proteins are then enriched by streptavidin pull-down or detected by gel electrophoresis or mass spectrometry.
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| Cell Assay |
For in vitro cell-based assays, sodium 4-pentynoate is tested on Jurkat T cells or other cell types. Cells are treated with the compound at various concentrations (typically 0.01-10 mM) for 0.5-8 hours. Protein acetylation is assessed by Western blotting using anti-acetyl-lysine antibodies. Cell viability is assessed using MTT assays. Gene expression changes can be analyzed by qPCR or RNA-seq.
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| Animal Protocol |
For in vivo animal experiments, sodium 4-pentynoate is typically administered intraperitoneally or intravenously to rodents. The compound is given at doses ranging from 10-100 mg/kg. Tissues are collected at various time points, and protein acetylation is assessed by Western blotting. Alkyne-labeled proteins can be enriched and identified by mass spectrometry. Pharmacodynamic effects can be evaluated by measuring changes in gene expression.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for sodium 4-pentynoate are limited. As a small molecule with a molecular weight of 120.08 g/mol and formula C₅H₅NaO₂, it is expected to be rapidly absorbed and distributed. The compound is soluble in DMSO. Its half-life is likely short, and it is metabolized via beta-oxidation or conjugation pathways. The compound's alkyne group is chemically stable in vivo.
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| Toxicity/Toxicokinetics |
Toxicological data for sodium 4-pentynoate are limited. As an HDAC inhibitor, it may have cytotoxic effects at high concentrations. The compound is classified as a research-grade reagent and is not for human therapeutic use. Standard laboratory safety practices should be followed when handling. The compound should be used with appropriate precautions due to its alkyne functionality.
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| References | |
| Additional Infomation |
Sodium 4-pentynoate is a research-use only compound and has not been approved for clinical applications. It is also known as sodium pent-4-ynoate. Its molecular weight is 120.08, and its formula is C₅H₅NaO₂. The compound is available from various research chemical suppliers for protein acetylation and HDAC research.
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| Molecular Formula |
C5H5O2-.NA+
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|---|---|
| Molecular Weight |
120.0818
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| Exact Mass |
120.019
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| CAS # |
101917-30-0
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| PubChem CID |
66577022
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
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| Complexity |
111
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IWIICCMJXWKGSG-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C5H6O2.Na/c1-2-3-4-5(6)7;/h1H,3-4H2,(H,6,7);/q;+1/p-1
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| Chemical Name |
sodium;pent-4-ynoate
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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: Please store this product in a sealed and protected environment, 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) |
H2O : ~100 mg/mL (~832.78 mM)
DMSO : ~16.67 mg/mL (~138.82 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (13.91 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 16.7 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: ≥ 1.67 mg/mL (13.91 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 16.7 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: ≥ 1.67 mg/mL (13.91 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 150 mg/mL (1249.17 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3278 mL | 41.6389 mL | 83.2778 mL | |
| 5 mM | 1.6656 mL | 8.3278 mL | 16.6556 mL | |
| 10 mM | 0.8328 mL | 4.1639 mL | 8.3278 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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