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| Other Sizes |
| Targets |
Propargyl-PEG5-amine does not have a specific biological target, as it is a chemical linker rather than a pharmacologically active compound. Its role is entirely structural and functional, serving to connect two or more molecular components in a stable and controlled manner. The "target" of this linker is the specific functional groups on the molecules it is designed to conjugate. The primary amine group acts as a nucleophile and is a target for conjugation with electrophilic groups, most commonly carboxylic acids (via amide bond formation using coupling reagents like EDC or HATU) or activated esters (such as NHS esters). The propargyl group serves as a target for bioorthogonal click chemistry, reacting specifically with azide groups in the presence of a copper(I) catalyst to form a stable 1,2,3-triazole linkage. The PEG5 spacer is not a target but a structural element that interacts with the aqueous environment, enhancing solubility and reducing steric hindrance. Therefore, Propargyl-PEG5-amine acts as a versatile connector, enabling the precise and stable assembly of complex molecular architectures for applications in drug delivery, diagnostics, and basic research.
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| ln Vitro |
ADC is made up of antibodies that are connected by an ADC linker to the ADC cytotoxin. Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are connected by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system.
Propargyl-PEG5-amine, as a chemical linker, does not possess any direct in vitro biological activity, such as enzyme inhibition, receptor agonism, or cytotoxicity. Its function is not to interact with biological targets to produce a pharmacological effect, but to serve as a covalent bridge in the synthesis of bioactive conjugates. The in vitro activity of Propargyl-PEG5-amine is therefore assessed indirectly, through the characterization of the conjugates it helps to create. For instance, when used to synthesize an ADC, the activity of the final conjugate is evaluated in cell-based assays for target binding, internalization, and cytotoxicity. The PEG5 linker contributes to the conjugate's overall activity by enhancing its solubility, stability, and pharmacokinetic properties, but the primary biological activity is conferred by the warhead (e.g., a cytotoxic drug) and the targeting moiety (e.g., an antibody). Similarly, in PROTAC synthesis, the linker's role is to connect the target protein ligand and the E3 ligase ligand in the correct orientation and distance. The biological activity of the resulting PROTAC is then measured by its ability to induce targeted protein degradation. Thus, the activity of Propargyl-PEG5-amine is a function of its utility as a synthetic building block. |
| ln Vivo |
Propargyl-PEG5-amine, as a chemical linker, does not possess any direct in vivo biological activity. It is not administered as a therapeutic agent and does not exert pharmacological effects in animal models. Its in vivo relevance is strictly as a component of larger, biologically active conjugates. When incorporated into an ADC or a PROTAC, the PEG5 linker contributes to the overall in vivo behavior of the conjugate. The hydrophilic PEG spacer is known to improve the pharmacokinetic profile of bioconjugates by increasing their solubility, reducing aggregation, and shielding them from immune recognition, thereby extending their circulation half-life. However, the specific in vivo activity—such as tumor regression in a xenograft model or target protein degradation in a tissue—is determined by the conjugate's warhead and targeting ligand, not the linker itself. The linker's role is permissive, ensuring that the active components are stably connected and function optimally in the complex in vivo environment. Therefore, while Propargyl-PEG5-amine is a critical component in the design of effective in vivo therapeutics, its own in vivo activity is negligible.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for Propargyl-PEG5-amine, as it is not a biologically active compound that directly interacts with proteins. The compound is a chemical reagent, and its characterization is performed using analytical chemistry techniques rather than biological assays. The quality and identity of Propargyl-PEG5-amine are typically confirmed by methods such as Nuclear Magnetic Resonance (NMR) spectroscopy, High-Performance Liquid Chromatography (HPLC), and Mass Spectrometry (MS) to verify its structure and purity (often >98%). If an assay were to be conducted to confirm its reactivity, it would be a chemical conjugation reaction rather than a biological binding assay. For example, the amine group's reactivity could be tested by reacting it with an NHS-ester-containing compound and monitoring the formation of the amide bond by HPLC or LC-MS. The alkyne group's reactivity could be tested in a copper-catalyzed click reaction with an azide-containing fluorophore, and the successful conjugation could be confirmed by a change in fluorescence or by mass spectrometry. These are quality control and functional validation steps, not biological assays.
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| Cell Assay |
There are no standard in vitro cell-based assays for Propargyl-PEG5-amine, as it is not a bioactive molecule intended to affect cellular function. Its use in cell biology is indirect, as a reagent for modifying other molecules. For example, it can be used to create fluorescent probes or affinity tags for cellular imaging or pull-down experiments. In such cases, the cell-based assay would involve treating cells with the final conjugated probe and then measuring a biological readout, such as fluorescence intensity, protein localization, or the identification of binding partners. The performance of the linker would be evaluated by the efficiency and specificity of the bioconjugation and the functionality of the probe. However, there is no direct assay for the linker itself in cells, as it is not designed to interact with cells in its unconjugated form. The compound's purity (typically >98%) and solubility (e.g., 10 mM in DMSO) ensure it can be used effectively in these applications without causing cellular artifacts. Therefore, any cell-based work involving Propargyl-PEG5-amine is always part of a larger experimental design, and the linker's role is to enable that design.
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| Animal Protocol |
Propargyl-PEG5-amine is not used in in vivo animal experiments as a standalone compound, as it has no direct biological activity. It is a synthetic building block and not a therapeutic agent. Animal studies involving this compound would only be conducted on the final, larger conjugates (such as ADCs or PROTACs) that incorporate it. In such studies, the linker's contribution to the overall pharmacokinetic and pharmacodynamic profile of the conjugate would be assessed. For example, researchers might compare the in vivo efficacy and half-life of an ADC synthesized with Propargyl-PEG5-amine to one synthesized with a different linker. However, there is no standard animal protocol for Propargyl-PEG5-amine itself. Its use is limited to the research and development phase, where it is employed in the chemical synthesis of test articles. The storage recommendations (-20°C for long-term, 0-4°C for short-term) are for maintaining the chemical integrity of the reagent, not for administering to animals. In summary, there are no in vivo animal experiments for Propargyl-PEG5-amine as a single agent.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Propargyl-PEG5-amine are not studied as it is not a therapeutic agent. However, its physicochemical properties provide insight into its behavior. It has a molecular weight of 275.34 g/mol and a logP of -1.54, indicating high hydrophilicity. This high water solubility is a key feature of the PEG moiety, which is often used to improve the solubility, stability, and circulation time of conjugated therapeutics, reducing immunogenicity and renal clearance. As a small, hydrophilic molecule, it would be expected to have a short half-life if introduced into the bloodstream, likely being rapidly cleared by renal filtration. However, when conjugated to larger molecules like antibodies, the overall PK is dominated by the larger component. The compound is a colorless liquid, with a density of 1.0±0.1 g/cm³ and a boiling point of 360.4°C, indicating it is a stable, non-volatile compound. Its stability is ensured by storing it at -5°C in a dry, dark environment. The "PK" properties of this linker are thus not an independent consideration but are integral to the design and performance of the bioconjugates it helps to create.
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| Toxicity/Toxicokinetics |
Propargyl-PEG5-amine is considered to have low toxicity, consistent with other PEG-based linkers. PEG polymers are widely regarded as biocompatible, non-toxic, and non-immunogenic, which is why they are frequently used in pharmaceuticals and biomedical research. The compound is classified as a research reagent, and standard laboratory safety precautions should be followed when handling it. However, it is important to note that it is a "non-cleavable" linker, meaning it is designed to be stable and not degrade under physiological conditions. This stability is a desirable feature for its intended use, but it also means that if it were to enter the body as part of a conjugate, it would not be readily broken down, which could have long-term implications. However, for its use in vitro and in the synthesis of research compounds, this is not a concern. Its toxicity profile has not been extensively studied, but due to its intended use and chemical class, it is not expected to be acutely toxic. All handling should be done with appropriate personal protective equipment (PPE) in a well-ventilated area, and the compound should be stored properly to prevent degradation.
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| References | |
| Additional Infomation |
Propargyl-PEG5-amine is a research-use-only reagent and is not a drug, nor is it approved for any clinical or therapeutic use. It is a highly versatile chemical tool with a wide range of applications in chemical biology, pharmaceutical development, and materials science. Its key applications include: **Bioorthogonal Chemistry**: The terminal alkyne allows for copper-catalyzed azide-alkyne cycloaddition (CuAAC), enabling the selective labeling of biomolecules in complex mixtures. **Drug Delivery Systems**: It is used to create prodrug conjugates and sophisticated drug delivery systems. PEGylation improves the solubility, stability, and bioavailability of therapeutic agents, while the alkyne provides a handle for further functionalization. **Surface Modification**: It is employed for the surface modification of nanoparticles, biosensors, and medical devices, combining the biocompatibility of PEG with the reactivity of the alkyne group. **Proteomics and Glycomics**: It is used to introduce functional groups into complex biomolecule mixtures for identification and characterization. Due to its high purity (>98%) and defined structure, it is an essential building block for creating stable, well-defined conjugates for both in vitro and in vivo research.
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| Molecular Formula |
C13H25NO5
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|---|---|
| Molecular Weight |
275.341304540634
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| Exact Mass |
275.173
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| CAS # |
1589522-46-2
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| PubChem CID |
77078244
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| Appearance |
Colorless to light yellow liquid（Density：1.049 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
360.4±37.0 °C at 760 mmHg
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| Flash Point |
166.5±20.2 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.464
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| LogP |
-1.54
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
15
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| Heavy Atom Count |
19
|
| Complexity |
216
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(CCOCCOCC#C)CCOCCOCCN
|
| InChi Key |
BLBTXXAWMPTQOK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H25NO5/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h1H,3-14H2
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| Chemical Name |
2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~363.19 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.08 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 (9.08 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 (9.08 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 | 3.6319 mL | 18.1594 mL | 36.3187 mL | |
| 5 mM | 0.7264 mL | 3.6319 mL | 7.2637 mL | |
| 10 mM | 0.3632 mL | 1.8159 mL | 3.6319 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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