| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
PEGs
As a PEG-based PROTAC linker, m-PEG12-Thiol does not have a specific biological target itself but serves as a structural component in PROTAC molecules. The PEG category of linkers is used to connect the E3 ubiquitin ligase ligand to the target protein ligand in PROTAC design. In this context, one ligand binds to an E3 ubiquitin ligase and the other binds to the target protein; these two ligands are joined by the linker to form PROTACs. The intracellular ubiquitin-proteasome system is then utilized by PROTACs to specifically destroy target proteins. The thiol group provides a reactive handle for conjugation to various functional groups. |
|---|---|
| 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].
m-PEG12-Thiol functions as a linker component in in vitro PROTAC synthesis and bioconjugation applications. The PEG12 spacer enhances water solubility and provides molecular flexibility, which is critical for the formation of the ternary complex between the target protein, PROTAC, and E3 ligase. The thiol functionality allows strong, selective binding to maleimide or gold surfaces, making it useful for surface modification and nanoparticle stabilization. In vitro studies typically involve conjugation of this linker to various ligands or surfaces to evaluate its effectiveness in facilitating protein degradation or biomolecule immobilization. |
| ln Vivo |
In vivo activity data for m-PEG12-Thiol as a standalone compound are not reported, as it is utilized as a synthetic linker or bioconjugation reagent rather than as a therapeutic agent. The in vivo efficacy of PROTAC molecules incorporating this PEG12 linker would depend on the specific target protein ligand and the overall pharmacokinetic properties of the complete PROTAC construct. As a hydrophilic PEG-based linker, it may contribute to improved pharmacokinetic properties of conjugated molecules by enhancing solubility and reducing immunogenicity.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for m-PEG12-Thiol typically involve conjugation studies rather than direct binding measurements. The thiol group is used to conjugate the linker to maleimide-activated proteins, peptides, or surfaces via Michael addition chemistry. Binding efficiency can be assessed by measuring the degree of conjugation using techniques such as UV-Vis spectroscopy, mass spectrometry, or gel electrophoresis. Surface plasmon resonance (SPR) may be employed to evaluate the binding of PEGylated molecules to their targets. The PEG12 spacer minimizes steric hindrance, allowing efficient conjugation and maintaining the biological activity of the conjugated molecule.
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| Cell Assay |
In vitro cell-based assays using m-PEG12-Thiol typically involve its incorporation into PROTAC molecules or bioconjugates, followed by evaluation in cell culture systems. For PROTAC applications, cells are treated with PROTACs containing this PEG12 linker, and target protein degradation is measured by Western blotting or immunofluorescence. For bioconjugation applications, the linker may be used to PEGylate proteins or nanoparticles, and cellular uptake, biocompatibility, or stability may be assessed. Dose-response experiments are performed to determine optimal concentrations for conjugation or degradation studies.
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| Animal Protocol |
In vivo animal studies using m-PEG12-Thiol are conducted as part of the evaluation of complete PROTAC molecules or PEGylated bioconjugates that incorporate this linker. Typical protocols involve administering PEGylated therapeutics or PROTAC constructs to animal models, followed by assessment of pharmacokinetics, biodistribution, or efficacy. The PEG12 spacer is expected to improve the pharmacokinetic profile by increasing hydrophilicity, reducing protein adsorption, and extending circulation time. Dosing regimens vary depending on the specific construct being evaluated and the disease model under study.
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| ADME/Pharmacokinetics |
As a linker rather than a therapeutic drug, comprehensive pharmacokinetic data for m-PEG12-Thiol alone are not available. However, the PEG12 moiety is known to enhance aqueous solubility, improve biocompatibility, and increase stability in biological environments. When incorporated into therapeutic molecules, PEGylation typically extends circulation half-life, reduces immunogenicity, and decreases renal clearance. The physicochemical properties include a molecular formula of C25H52O12S, molecular weight of 576.74, and a density of approximately 1.084 g/cm³. The compound appears as a colorless to light yellow liquid.
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| Toxicity/Toxicokinetics |
The toxicity profile of m-PEG12-Thiol as an individual compound is not extensively characterized, as it is primarily used as a research reagent and synthetic linker. The compound is intended for research use only and is not approved for therapeutic use in humans. PEG-based compounds are generally considered to have low toxicity and good biocompatibility, which is why PEGylation is widely used in pharmaceutical formulations. Standard laboratory safety practices, including the use of personal protective equipment and handling in a fume hood, are recommended.
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| References | |
| Additional Infomation |
m-PEG12-Thiol (CAS 2413368-61-1) has a molecular formula of C25H52O12S and a molecular weight of 576.74. The compound appears as a colorless to light yellow liquid with a density of 1.084 ± 0.06 g/cm³. It is soluble in DMSO at approximately 100 mg/mL (~173.39 mM). The compound should be stored at -20°C as a powder for up to 3 years or at 4°C for up to 2 years, sealed and protected from moisture and light. It is stable at ambient temperature for short periods during shipping. The LogP is -3.33, indicating high hydrophilicity. It belongs to the PEG category of PROTAC linkers and is used in PROTAC synthesis and bioconjugation applications.
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| Molecular Formula |
C25H52O12S
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|---|---|
| Molecular Weight |
576.74
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| Exact Mass |
576.317
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| CAS # |
2413368-61-1
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| PubChem CID |
75535073
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| Appearance |
Colorless to light yellow liquid（Density：1.084±0.06 g/cm3）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
594.6±50.0 °C at 760 mmHg
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| Flash Point |
313.4±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.464
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| LogP |
-3.33
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
35
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| Heavy Atom Count |
38
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
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| InChi Key |
MXDXXEVQFMVAIA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H52O12S/c1-26-2-3-27-4-5-28-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38/h38H,2-25H2,1H3
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| Chemical Name |
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
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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 :~100 mg/mL (~173.39 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.33 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 (4.33 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 (4.33 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 | 1.7339 mL | 8.6694 mL | 17.3388 mL | |
| 5 mM | 0.3468 mL | 1.7339 mL | 3.4678 mL | |
| 10 mM | 0.1734 mL | 0.8669 mL | 1.7339 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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