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| Other Sizes |
| Targets |
Propargyl-PEG4-NHS ester does not have a specific biological target, as it is a chemical linker rather than a pharmacologically active compound. Its function is entirely structural, serving as a covalent connector between two or more molecular components. The "targets" of this linker are the specific functional groups on the molecules it is designed to conjugate. The NHS ester group targets primary amines, forming stable amide bonds. The propargyl group targets azides in click chemistry reactions, forming a stable 1,2,3-triazole linkage. The PEG4 spacer is not a target but a structural element that interacts with the aqueous environment, enhancing solubility and reducing steric hindrance between conjugated moieties. Therefore, Propargyl-PEG4-NHS ester 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 |
Propargyl-PEG4-NHS ester, 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 this linker is 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 PEG4 linker contributes to the conjugate's overall activity by enhancing its solubility and providing the necessary spacing between the antibody and the drug. Thus, the activity of Propargyl-PEG4-NHS ester is a function of its utility as a synthetic building block.
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| ln Vivo |
Propargyl-PEG4-NHS ester, 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, the non-cleavable PEG4 linker contributes to the overall in vivo behavior of the conjugate by improving its pharmacokinetic profile, increasing solubility, reducing aggregation, and potentially extending circulation half-life. However, the specific in vivo activity—such as tumor regression in a xenograft model—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.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for Propargyl-PEG4-NHS ester, 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 the linker 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. 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 NHS ester's reactivity could be tested by reacting it with an amine-containing compound and monitoring amide bond formation by HPLC or LC-MS. The alkyne group's reactivity could be tested in a click reaction with an azide-containing fluorophore.
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| Cell Assay |
There are no standard in vitro cell-based assays for Propargyl-PEG4-NHS ester, 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.
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| Animal Protocol |
Propargyl-PEG4-NHS ester 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 imaging probes) 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 this PEG4 linker to one synthesized with a different linker. However, there is no standard animal protocol for Propargyl-PEG4-NHS ester itself. Its use is limited to the research and development phase, where it is employed in the chemical synthesis of test articles.
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| ADME/Pharmacokinetics |
Propargyl-PEG4-NHS ester has a molecular weight of 357.36 g/mol and a molecular formula of C16H23NO8. It has a logP of -2.32, indicating high hydrophilicity. The compound is a colorless to light yellow viscous liquid with a density of 1.2±0.1 g/cm³. It is soluble in DMSO, DCM, and DMF. For storage, it is recommended to keep the powder at -20°C for up to 3 years or at 4°C for up to 2 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month. The compound is stable at ambient temperature for a few days during shipping. Detailed pharmacokinetic properties are not studied as it is not a therapeutic agent.
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| Toxicity/Toxicokinetics |
Propargyl-PEG4-NHS ester 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. 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. The compound 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.
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| Additional Infomation |
Propargyl-PEG4-NHS ester 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) with azide-containing molecules, enabling the selective labeling of biomolecules in complex mixtures. **ADC Synthesis**: It serves as a non-cleavable linker to connect cytotoxic drugs to antibodies, forming stable antibody-drug conjugates for targeted cancer therapy. **Surface Modification**: It is employed for the surface modification of nanoparticles, biosensors, and medical devices. **PROTAC Synthesis**: It is used as a linker in the design of proteolysis-targeting chimeras. 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 |
C16H23NO8
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|---|---|
| Molecular Weight |
357.35572552681
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| Exact Mass |
357.142
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| CAS # |
1428629-70-2
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| PubChem CID |
77078449
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| Appearance |
Colorless to light yellow viscous liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
463.1±55.0 °C at 760 mmHg
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| Flash Point |
233.9±31.5 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.504
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| LogP |
-2.32
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
25
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| Complexity |
468
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C#CCOCCOCCOCCOCCC(ON1C(CCC1=O)=O)=O
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| InChi Key |
GRIZGOGILWMGRU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H23NO8/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-5-16(20)25-17-14(18)3-4-15(17)19/h1H,3-13H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate
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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) |
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 | 2.7983 mL | 13.9915 mL | 27.9830 mL | |
| 5 mM | 0.5597 mL | 2.7983 mL | 5.5966 mL | |
| 10 mM | 0.2798 mL | 1.3991 mL | 2.7983 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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