| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
Benzyl-PEG3-CH2CO2tBu is a PEG-based PROTAC linker used in the synthesis of PROTACs (PROteolysis TArgeting Chimeras). PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. The benzyl and t-butyl protecting groups are acid labile and can be removed under acidic conditions. The hydrophilic PEG linker increases water solubility.
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| 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. PROTACs target and selectively degrade target proteins by taking advantage of the intracellular ubiquitin-proteasome system.
In vitro, Benzyl-PEG3-CH2CO2tBu is used in the synthesis of PROTACs. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media. The benzyl and t-butyl protecting groups are acid labile. The compound is commonly used in pegylation, a process of attaching PEG to molecules. It is a heterobifunctional PEG linker. The compound is used in the synthesis of bioconjugates for various research applications. |
| ln Vivo |
In vivo, Benzyl-PEG3-CH2CO2tBu is not used as a therapeutic agent itself but is used in the construction of PROTACs for in vivo applications. PROTACs synthesized with this linker can be used for targeted protein degradation in animal models. The hydrophilic PEG linker enhances the pharmacokinetic properties of the resulting conjugates. However, comprehensive in vivo data for the linker alone are limited.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for Benzyl-PEG3-CH2CO2tBu, as it is a linker rather than a pharmacologically active agent. Its reactivity and stability can be assessed using standard chemical analysis methods. The efficiency of deprotection and conjugation is monitored by HPLC or mass spectrometry. These assays confirm the compound's utility as a PROTAC linker.
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| Cell Assay |
In vitro cell-based assays for Benzyl-PEG3-CH2CO2tBu are not typically performed, as the compound is a linker rather than a pharmacologically active agent. However, PROTACs synthesized with this linker are evaluated in cell-based assays for target protein degradation. Cells are treated with PROTACs, and target protein levels are measured by Western blot or ELISA. These assays confirm the functionality of PROTACs constructed with Benzyl-PEG3-CH2CO2tBu.
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| Animal Protocol |
In vivo animal experiments for Benzyl-PEG3-CH2CO2tBu are not typically conducted, as the compound is a linker rather than a therapeutic agent. However, PROTACs synthesized with this linker are evaluated in animal models of disease. Tumor-bearing mice are treated with PROTACs, and tumor growth and target protein degradation are assessed. Comprehensive in vivo studies are conducted on the final PROTAC molecules rather than the linker alone.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) data for Benzyl-PEG3-CH2CO2tBu are not well-characterized, as the compound is a linker rather than a therapeutic agent. It has a molecular weight of 310.4 g/mol and a molecular formula of C₁₇H₂₆O₅. The hydrophilic PEG linker enhances solubility. The compound is typically used in chemical synthesis and is not administered as a therapeutic agent. Comprehensive ADME studies are not available.
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| Toxicity/Toxicokinetics |
The toxicity profile of Benzyl-PEG3-CH2CO2tBu has not been extensively characterized. As a research chemical, it should be handled with appropriate safety precautions. The compound is for research use only and is not intended for human or veterinary use. Standard safety precautions for handling chemical compounds should be followed.
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| References | |
| Additional Infomation |
Benzyl-PEG3-CH2CO2tBu is a PEG derivative with a benzyl and t-butyl protecting group. It has a molecular formula of C₁₇H₂₆O₅ and a molecular weight of 310.4 g/mol. Both protecting groups are acid labile. The hydrophilic PEG linker increases water solubility. Benzyl-PEG3-CH2CO2tBu is a PEG-based PROTAC linker. It is a research tool and has no clinical applications.
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| Molecular Formula |
C17H26O5
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|---|---|
| Molecular Weight |
310.385345935822
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| Exact Mass |
310.178
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| CAS # |
1643957-26-9
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| PubChem CID |
77078176
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
396.0±27.0 °C at 760 mmHg
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| Flash Point |
170.7±23.8 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
2.88
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
22
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| Complexity |
292
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(OC(C)(C)C)(=O)COCCOCCOCC1=CC=CC=C1
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| InChi Key |
IGVRCUZLYJDPKK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H26O5/c1-17(2,3)22-16(18)14-21-12-10-19-9-11-20-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
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| Chemical Name |
tert-butyl 2-[2-(2-phenylmethoxyethoxy)ethoxy]acetate
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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) |
DMSO : ≥ 50 mg/mL (~161.09 mM)
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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 | 3.2218 mL | 16.1088 mL | 32.2175 mL | |
| 5 mM | 0.6444 mL | 3.2218 mL | 6.4435 mL | |
| 10 mM | 0.3222 mL | 1.6109 mL | 3.2218 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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