| Size | Price | Stock | Qty |
|---|---|---|---|
| 2g |
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| Other Sizes |
| Targets |
As a chemical linker, Amino-PEG4-acid itself does not have a biological target. Its utility lies in its ability to serve as a hydrophilic, flexible spacer in the synthesis of bifunctional molecules such as PROTACs. In PROTAC design, one ligand binds to the target protein and another ligand binds to an E3 ubiquitin ligase; these two ligands are connected by a linker. The hydrophilic PEG spacer enhances the aqueous solubility and flexibility of the resulting PROTAC, which are critical for optimal ternary complex formation and target protein degradation.
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|---|---|
| ln Vitro |
An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC. 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.
As a chemical linker, Amino-PEG4-acid does not exhibit intrinsic biological activity and therefore does not have conventional in vitro activity. Its in vitro utility is demonstrated in the synthesis and evaluation of PROTACs, where it is used to connect a target-binding ligand to an E3 ligase-binding ligand. The efficiency of PROTAC synthesis using this linker is typically assessed by HPLC and mass spectrometry. The linker's role is to ensure optimal spacing and flexibility for ternary complex formation. |
| ln Vivo |
As a chemical linker, Amino-PEG4-acid does not possess intrinsic biological activity and therefore is not evaluated in conventional in vivo efficacy models. Its in vivo relevance is demonstrated through the biological activity of the PROTAC degraders it helps to form. The PEG component of the linker can contribute to improved pharmacokinetic properties of the PROTAC, including enhanced solubility and reduced immunogenicity, which are beneficial for in vivo applications.
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| Enzyme Assay |
In a typical non-cellular conjugation experiment, Amino-PEG4-acid is dissolved in an appropriate solvent such as DMSO or DMF. The carboxylic acid group is activated using a coupling reagent such as HATU, HOBt, or EDC in the presence of a base. The activated ester is then reacted with an amine-containing molecule to form an amide bond. Alternatively, the amino group of the linker can be reacted with a carboxylic acid-containing molecule. The reaction is carried out at room temperature. The product is purified by column chromatography or preparative HPLC and characterized by NMR and mass spectrometry.
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| Cell Assay |
Since Amino-PEG4-acid is a chemical linker rather than a drug substance, standard in vitro cell-based assays are not directly applicable. However, the cellular activity of the PROTAC degraders that incorporate this linker can be assessed in relevant cell lines. A PROTAC containing this linker can be evaluated for its ability to degrade a target protein in cancer cells via Western blot analysis. Cell viability assays such as MTT or CellTiter-Glo can be used to assess the functional consequences of target protein degradation.
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| Animal Protocol |
As a chemical linker, Amino-PEG4-acid is not administered to animals as a therapeutic agent. In vivo studies are conducted with the final PROTAC conjugates that incorporate this linker. These studies typically involve xenograft mouse models for efficacy evaluation, where tumor-bearing mice are treated with the PROTAC, and tumor growth inhibition is measured. Pharmacokinetic studies may also be performed to assess the impact of the PEG linker on circulation half-life and biodistribution.
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| ADME/Pharmacokinetics |
As a chemical linker, Amino-PEG4-acid is not a therapeutic agent and therefore does not have a pharmacokinetic profile of its own. The pharmacokinetic properties of the linker are relevant only in the context of the final PROTAC conjugate. The hydrophilic PEG spacer can contribute to favorable PK properties of the conjugate, such as increased aqueous solubility and reduced aggregation. The overall PK profile is determined by the combined properties of the ligands and the linker.
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| Toxicity/Toxicokinetics |
Amino-PEG4-acid is a research-use chemical and is not intended for human therapeutic use. As a PEG-based linker, it is generally considered to have low inherent toxicity, although appropriate safety precautions should be taken. The potential toxicity of the final PROTAC conjugates incorporating this linker is determined by the specific ligands used.
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| References | |
| Additional Infomation |
Amino-PEG4-acid is a heterobifunctional PEG linker used in PROTAC development and bioconjugation. The compound contains an amino group and a carboxylic acid, enabling orthogonal conjugation strategies. The 4-unit PEG spacer provides flexibility and solubility for the resulting conjugates. The compound is commonly used in research settings for the development of targeted protein degradation therapies and is not an approved drug.
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| Molecular Formula |
C11H23NO6
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|---|---|
| Molecular Weight |
265.3034
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| Exact Mass |
265.152
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| CAS # |
663921-15-1
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| Related CAS # |
663921-15-1;
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| PubChem CID |
22731902
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| Appearance |
Off-white to light yellow solid-liquid Mixture
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
409.6±40.0 °C at 760 mmHg
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| Flash Point |
201.5±27.3 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.469
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| LogP |
-1.92
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
18
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| Complexity |
190
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])[H]
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| InChi Key |
DKUZHSDZSMQOGQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
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| Chemical Name |
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~10 mg/mL (~37.69 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (3.77 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 mg/mL (3.77 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 10.0 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: ≥ 1 mg/mL (3.77 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 | 3.7693 mL | 18.8466 mL | 37.6932 mL | |
| 5 mM | 0.7539 mL | 3.7693 mL | 7.5386 mL | |
| 10 mM | 0.3769 mL | 1.8847 mL | 3.7693 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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