| Size | Price | |
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| Other Sizes |
| Targets |
PEGs
As a PEG-based PROTAC linker, THP-PEG1-alcohol 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. |
|---|---|
| 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].
THP-PEG1-alcohol functions as a linker component in in vitro PROTAC synthesis and bioconjugation applications. The PEG1 spacer provides a minimal bridge between the E3 ligase ligand and the target protein ligand. The THP protecting group allows for selective deprotection under acidic conditions to reveal a free hydroxyl for further functionalization. In vitro studies typically involve deprotection and conjugation of this linker to various ligands, followed by evaluation of the resulting PROTAC molecules in protein degradation assays. |
| ln Vivo |
In vivo activity data for THP-PEG1-alcohol as a standalone compound are not reported, as it is utilized as a synthetic linker rather than as a therapeutic agent. The in vivo efficacy of PROTAC molecules incorporating this PEG1 linker would depend on the specific target protein ligand and the overall pharmacokinetic properties of the complete PROTAC construct. As a short hydrophilic PEG-based linker, it may contribute to the overall solubility of the complete PROTAC molecule.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for THP-PEG1-alcohol typically involve conjugation studies rather than direct binding measurements. The THP group can be deprotected and the resulting hydroxyl can be activated for conjugation to various functional groups. Binding efficiency can be assessed by measuring the degree of conjugation using techniques such as NMR spectroscopy, mass spectrometry, or HPLC. Surface plasmon resonance (SPR) may be employed to evaluate the binding of PROTAC molecules containing this linker to their targets. The short PEG1 spacer minimizes steric hindrance during conjugation.
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| Cell Assay |
In vitro cell-based assays using THP-PEG1-alcohol typically involve its incorporation into PROTAC molecules, followed by evaluation in cell culture systems. Cells are treated with PROTACs containing this PEG1 linker, and target protein degradation is measured by Western blotting or immunofluorescence. Dose-response experiments are performed to determine optimal concentrations for degradation studies. The short PEG1 chain provides minimal steric hindrance while maintaining some aqueous solubility.
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| Animal Protocol |
In vivo animal studies using THP-PEG1-alcohol are conducted as part of the evaluation of complete PROTAC molecules that incorporate this PEG1 linker. Typical protocols involve administering PROTAC constructs to animal models, followed by assessment of pharmacokinetics, biodistribution, or efficacy. The short PEG1 spacer may influence the pharmacokinetic profile of the complete PROTAC molecule. 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 THP-PEG1-alcohol alone are not available. The compound has a molecular formula of C7H14O3 and a molecular weight of 146.18. The compound appears as a colorless to light yellow liquid. It has a density of 1.1±0.1 g/cm³, a boiling point of 255.3±30.0 °C at 760 mmHg, and a logP of -0.38. The IUPAC name is 2-((tetrahydro-2H-pyran-2-yl)oxy)ethan-1-ol.
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| Toxicity/Toxicokinetics |
The toxicity profile of THP-PEG1-alcohol 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. Standard laboratory safety practices, including the use of personal protective equipment, are recommended.
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| References | |
| Additional Infomation |
THP-PEG1-alcohol (CAS 2162-31-4) has a molecular formula of C7H14O3 and a molecular weight of 146.18. The compound appears as a colorless to light yellow liquid. It has a purity of 99.53%. It should be stored as a powder at -20°C for up to 3 years or at 4°C for up to 2 years. The compound is stable at ambient temperature for a few days during ordinary shipping. It belongs to the PEG category of PROTAC linkers and is used in PROTAC synthesis applications.
|
| Molecular Formula |
C7H14O3
|
|---|---|
| Molecular Weight |
146.18
|
| Exact Mass |
146.094
|
| CAS # |
2162-31-4
|
| PubChem CID |
4166833
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
255.3±30.0 °C at 760 mmHg
|
| Melting Point |
95ºC 22 mm Hg(lit.)
|
| Flash Point |
108.2±24.6 °C
|
| Vapour Pressure |
0.0±1.1 mmHg at 25°C
|
| Index of Refraction |
1.460
|
| LogP |
-0.38
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
10
|
| Complexity |
84.9
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CCOC(C1)OCCO
|
| InChi Key |
XDBZJXRPEKFIFR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H14O3/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2
|
| Chemical Name |
2-(oxan-2-yloxy)ethanol
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.8409 mL | 34.2044 mL | 68.4088 mL | |
| 5 mM | 1.3682 mL | 6.8409 mL | 13.6818 mL | |
| 10 mM | 0.6841 mL | 3.4204 mL | 6.8409 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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