| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Propargyl-PEG5-NHS ester does not have a specific biological target, as it is a chemical linker. Its function is to serve as a covalent connector between molecular components in the synthesis of ADCs and PROTACs. 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 hydrophilic PEG5 spacer enhances solubility and reduces steric hindrance between the conjugated components.
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| ln Vitro |
Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system. An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
Propargyl-PEG5-NHS ester, as a linker, does not possess any direct in vitro biological activity. Its function is to enable the synthesis of bioactive conjugates. The in vitro activity of this linker is assessed indirectly through the characterization of the final conjugates it helps to create. For instance, when used to synthesize an ADC, the activity of the 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 and providing the necessary spacing between the antibody and the drug. |
| ln Vivo |
Propargyl-PEG5-NHS ester is not intended for in vivo use as a standalone compound. Its relevance in vivo is as a component of larger conjugates, such as ADCs or PROTACs. In these contexts, the hydrophilic PEG5 spacer contributes to the overall pharmacokinetic profile of the conjugate by improving solubility and reducing aggregation. However, the specific in vivo activity—such as tumor regression or target protein degradation—is determined by the conjugate's warhead and targeting ligand, not the linker itself. The linker's role is to stably connect the functional components.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for Propargyl-PEG5-NHS ester, as it is a chemical reagent. Its characterization is performed using analytical chemistry techniques such as NMR, HPLC, and MS to verify its structure and purity. The functionality of the NHS ester can be confirmed by reacting it with a model amine and monitoring amide bond formation by HPLC. The propargyl group's reactivity can be confirmed by reacting it with an azide-containing compound and monitoring the formation of the triazole linkage by HPLC or LC-MS. These are quality control steps, not biological assays.
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| Cell Assay |
There are no standard in vitro cell-based assays for Propargyl-PEG5-NHS ester itself, as it is not a bioactive molecule. Its use in cell biology is indirect, as a reagent for constructing bioconjugates. For example, when used to create an ADC, the ADC's ability to kill cancer cells would be evaluated in cell-based assays. The linker's role is to ensure the ADC is functional and stable. However, there is no direct assay for the linker in cells. Its purity and reactivity are confirmed through chemical assays before use in any biological experiment.
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| Animal Protocol |
Propargyl-PEG5-NHS ester is not used in in vivo animal experiments as a standalone compound. It is a synthetic building block for creating bioconjugates such as ADCs or PROTACs. Animal studies would be conducted on the final, larger conjugates that incorporate this linker. In such studies, the linker's contribution to the overall pharmacokinetic and pharmacodynamic profile of the conjugate might be assessed by comparing it to conjugates made with different linkers. However, there is no standard animal protocol for the linker itself. Its use is limited to the research and development phase for synthesizing test articles.
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| ADME/Pharmacokinetics |
Propargyl-PEG5-NHS ester has a CAS number of 1393330-40-9. It is a colorless to yellow to orange clear liquid. For storage, it is recommended to keep the compound refrigerated at 0-10°C. Detailed pharmacokinetic properties are not relevant as the compound is a linker, not a therapeutic agent. As a research chemical, its stability is maintained by proper storage.
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| Toxicity/Toxicokinetics |
Propargyl-PEG5-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. 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. As with all chemicals, it should be handled with appropriate personal protective equipment in a well-ventilated area.
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| References | |
| Additional Infomation |
Propargyl-PEG5-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 monodisperse, heterobifunctional PEG linker characterized by a terminal propargyl group and an NHS ester. It is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). The NHS ester reacts with primary amines to form stable amide bonds, while the propargyl group enables CuAAC with azide-containing molecules. The PEG5 chain improves solubility and reduces steric hindrance. It is also utilized as a linker in the design of PROTACs. It is a valuable tool for medicinal chemists and chemical biologists working on targeted drug delivery and protein degradation.
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| Molecular Formula |
C18H27NO9
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|---|---|
| Molecular Weight |
401.4083
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| Exact Mass |
401.168
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| CAS # |
1393330-40-9
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| PubChem CID |
60146234
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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 |
497.6±55.0 °C at 760 mmHg
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| Flash Point |
254.8±31.5 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.502
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| LogP |
-2.68
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
28
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| Complexity |
512
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C#C[H])=O)N1C(C([H])([H])C([H])([H])C1=O)=O
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| InChi Key |
ACZDUKRWTPZVRP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H27NO9/c1-2-6-23-8-10-25-12-14-27-15-13-26-11-9-24-7-5-18(22)28-19-16(20)3-4-17(19)21/h1H,3-15H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]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 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 (~249.12 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.23 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 (6.23 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 (6.23 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 | 2.4912 mL | 12.4561 mL | 24.9122 mL | |
| 5 mM | 0.4982 mL | 2.4912 mL | 4.9824 mL | |
| 10 mM | 0.2491 mL | 1.2456 mL | 2.4912 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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