| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
PEGs
PROTAC Linkers. |
|---|---|
| ln Vitro |
One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
As a linker molecule, Tri(Amino-PEG3-amide)-amine itself has no intrinsic biological activity; it serves as a structural scaffold to connect multiple ligands in the synthesis of multivalent PROTAC molecules or other bioconjugates. The three terminal primary amine groups allow for the attachment of up to three different ligands (or three copies of the same ligand) via amide bond formation using EDC/NHS chemistry. This multivalency can be exploited to create PROTACs with enhanced avidity for target proteins that form dimers or multimers, or to create heteromultivalent molecules that simultaneously target multiple proteins. The central amine core can also be functionalized. The PEG3-amide arms provide hydrophilicity and flexibility, reducing steric hindrance between the conjugated ligands. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its activity is derived from the final multivalent conjugate after conjugation with appropriate ligands. The in vivo efficacy of a complete multivalent PROTAC is determined in animal models.
|
| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays. As a synthetic intermediate, its quality is typically confirmed by analytical methods such as HPLC and NMR, with a standard purity of ≥98%. The three primary amine groups can be characterized by their characteristic chemical shifts in NMR spectroscopy. The branched structure can be confirmed by mass spectrometry. The IUPAC name is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide.
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| Cell Assay |
N/A; this linker is not tested alone in cell-based assays. It is used as a building block for constructing multivalent PROTACs. In a typical synthesis, the three primary amine groups are conjugated to carboxylic acid-containing ligands (e.g., target protein ligands or E3 ligase ligands) using EDC and NHS activation. The PEG-amide arms provide flexibility, allowing the conjugated ligands to adopt optimal orientations for simultaneous engagement with multiple binding sites or multiple target proteins. The resulting multivalent PROTAC is then tested in cells for its biological activity, such as enhanced target degradation or synergistic effects.
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| Animal Protocol |
N/A; no animal studies are performed with the linker alone. For a complete multivalent PROTAC conjugate, in vivo studies are conducted following institutional guidelines. The compound is typically formulated using a vehicle containing DMSO, PEG300, Tween-80, and saline and administered via intraperitoneal (IP) or intravenous (IV) injection. The branched structure and PEG arms may affect the pharmacokinetic properties of the conjugate by influencing its size, solubility, and stability.
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| ADME/Pharmacokinetics |
This compound has a molecular weight of 755.94, a molecular formula of C33H69N7O12, and a standard purity of ≥98%. The IUPAC name is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide. For storage, it should be kept at 4degC, protected from light. In a solvent, it can be stored at -80degC for 6 months or at -20degC for 1 month, protected from light. It is soluble in DMSO and other organic solvents. The product should be stored under nitrogen to avoid oxidation. The TFA salt form is also available for enhanced solubility.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not for human therapeutic or clinical applications. Standard chemical safety precautions should be observed during handling. The product should be stored in a sealed and protected environment (e.g., under nitrogen) to avoid moisture absorption. It is not an approved therapeutic drug and has not been cleared for clinical use.
|
| References |
[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
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| Additional Infomation |
The branched trivalent structure of Tri(Amino-PEG3-amide)-amine provides a unique scaffold for constructing multivalent PROTACs and other bioconjugates. The three PEG-amide arms offer three identical conjugation sites with similar lengths and compositions, enabling the attachment of three copies of the same ligand for enhanced avidity, or three different ligands for heteromultivalent targeting. This compound is also known as Tri(Amino-PEG3-amide)-amine TFA salt and is a valuable tool for chemical biology research, including targeted protein degradation, protein labeling, and the development of multivalent therapeutics.
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| Molecular Formula |
C33H69N7O12
|
|---|---|
| Molecular Weight |
755.94
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| Exact Mass |
755.5
|
| CAS # |
2523025-40-1
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| PubChem CID |
86276366
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| Appearance |
Light yellow to yellow oil
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| Density |
1.134±0.06 g/cm3(Predicted)
|
| Boiling Point |
910.3±65.0 °C(Predicted)
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| LogP |
-6.1
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| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
42
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| Heavy Atom Count |
52
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| Complexity |
709
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(COCCOCCOCCN)C(=O)NCCN(CCNC(=O)CCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCN
|
| InChi Key |
IQSJMACFJXJKGK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C33H69N7O12/c34-4-16-47-22-28-50-25-19-44-13-1-31(41)37-7-10-40(11-8-38-32(42)2-14-45-20-26-51-29-23-48-17-5-35)12-9-39-33(43)3-15-46-21-27-52-30-24-49-18-6-36/h1-30,34-36H2,(H,37,41)(H,38,42)(H,39,43)
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| Chemical Name |
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide
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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 (~132.29 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.75 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 20.8 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: ≥ 2.08 mg/mL (2.75 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 20.8 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: ≥ 2.08 mg/mL (2.75 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 | 1.3229 mL | 6.6143 mL | 13.2286 mL | |
| 5 mM | 0.2646 mL | 1.3229 mL | 2.6457 mL | |
| 10 mM | 0.1323 mL | 0.6614 mL | 1.3229 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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