| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥98%
| Targets |
As a linker, Amino-PEG3-acid does not have a traditional biological target. It is a chemical tool used in the synthesis of PROTACs, ADCs, and other bioconjugates. Its role is to connect two functional molecules. The amino and carboxylic acid groups provide orthogonal handles for conjugation. The PEG spacer provides flexibility and solubility.
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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.
In vitro, Amino-PEG3-acid is used as a linker in the synthesis of PROTACs and ADCs. Its utility is demonstrated by the successful creation of these bioconjugates. The linker's hydrophilic PEG3 spacer enhances the aqueous solubility of the final molecule, which is particularly important for hydrophobic drugs. The non-cleavable nature of the linker provides stability. |
| ln Vivo |
In vivo applications of Amino-PEG3-acid are realized through the PROTACs or ADCs it helps construct. These conjugates are designed to have therapeutic effects, such as targeted protein degradation or cancer cell killing. The linker's stability and hydrophilicity influence the conjugate's pharmacokinetics and efficacy. The compound is a research tool for developing biopharmaceuticals.
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| Enzyme Assay |
In vitro assays for Amino-PEG3-acid typically involve confirming its structure and purity by NMR and mass spectrometry. Its reactivity, such as amide bond formation, can be demonstrated by synthesizing a small molecule conjugate. The formation of the amide bond can be confirmed by HPLC or mass spectrometry. These protocols are for research purposes only.
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| Cell Assay |
In vitro cell-based assays for Amino-PEG3-acid are performed on the final conjugate, not the linker alone. For PROTACs, target protein degradation is assessed by Western blot. For ADCs, cytotoxicity is measured using cell viability assays on target antigen-expressing cells. The linker's contribution to the conjugate's solubility and cell permeability can be evaluated. Standard cell culture conditions are used.
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| Animal Protocol |
In vivo animal studies for Amino-PEG3-acid are conducted with the final conjugate. Xenograft mouse models are used to evaluate antitumor efficacy for ADCs or PROTACs targeting cancer proteins. The conjugate is administered intravenously or intraperitoneally. Tumor growth inhibition is monitored, and pharmacodynamic studies assess target engagement or degradation. Pharmacokinetic studies evaluate the conjugate's half-life and distribution. All procedures must comply with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Amino-PEG3-acid are not characterized independently. As a PEG-based linker, it contributes to the overall properties of the conjugate, such as solubility and stability. The PEG3 spacer can help reduce renal clearance and improve the conjugate's half-life. The compound is for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of Amino-PEG3-acid is evaluated as part of the final conjugate. The linker itself is designed to be non-toxic. The toxicity of the conjugate is primarily determined by the payload and the target. The compound is a research chemical, and its safety for human use has not been established.
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| References | |
| Additional Infomation |
Additional information: Amino-PEG3-acid has the CAS number 784105-33-5. Its molecular formula is C₉H₁₉NO₅. It is a PEG-based linker containing an amino and a carboxylic acid group. It is used in PROTAC and ADC synthesis. This product is for research use only and is not approved for clinical or therapeutic applications.
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| Molecular Formula |
C9H19NO5
|
|---|---|
| Molecular Weight |
221.2509
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| Exact Mass |
221.126
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| CAS # |
784105-33-5
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| Related CAS # |
784105-33-5;
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| PubChem CID |
11608245
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| Appearance |
White to light yellow liquid
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| LogP |
0.169
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
15
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| Complexity |
153
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)O[H]
|
| InChi Key |
XUQZKSCQPMNDEY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H19NO5/c10-2-4-14-6-8-15-7-5-13-3-1-9(11)12/h1-8,10H2,(H,11,12)
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| Chemical Name |
3-[2-[2-(2-aminoethoxy)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, avoid exposure to moisture. |
| 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 (~451.98 mM)
DMF : 3.33 mg/mL (~15.05 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.30 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 (11.30 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 (11.30 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 | 4.5198 mL | 22.5989 mL | 45.1977 mL | |
| 5 mM | 0.9040 mL | 4.5198 mL | 9.0395 mL | |
| 10 mM | 0.4520 mL | 2.2599 mL | 4.5198 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03643068 | Completed | Drug: KSP-QRH-E3-IRDye800 (Peptide 919288G), 0.6 mg Drug: KSP-QRH-E3-IRDye800 (Peptide 919288G), 1.8 mg |
Healthy Adults | University of Michigan | 2018-08-22 | Phase 1 |
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