| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
Purity: ≥98%
| Targets |
As a chemical linker, Tos-PEG4-t-butyl ester does not have a specific biological target. Its primary role is as a linker in the synthesis of PROTACs and other complex molecules. The PEG spacer enhances solubility and biocompatibility. The tosyl group is a good leaving group for nucleophilic substitution reactions. The t-butyl ester protects the carboxyl group, which can be deprotected for further conjugation.
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| ln Vitro |
Tos-PEG4-t-butyl ester itself does not exhibit direct biological activity. Its activity is dependent on the final conjugated molecule (e.g., a PROTAC). The linker's properties, such as length and hydrophilicity, can influence the pharmacokinetics and efficacy of the final construct. The compound is used to conjugate the target protein-binding ligand and the E3 ligase ligand in a PROTAC molecule.
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| ln Vivo |
As a chemical intermediate, Tos-PEG4-t-butyl ester is not a therapeutic agent and does not have direct in vivo activity. Its function is in the synthesis of more complex molecules. The in vivo properties of the final conjugate are determined by the entire molecule, including the targeting ligand, payload, and linker.
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| Enzyme Assay |
In vitro enzyme or receptor binding (non-cell) assays are not applicable for Tos-PEG4-t-butyl ester, as it is not a direct enzyme inhibitor or receptor ligand. Its identity and purity are confirmed using analytical techniques such as Nuclear Magnetic Resonance (NMR) spectroscopy and Mass Spectrometry. Its utility as a linker is assessed in chemical synthesis.
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| Cell Assay |
In vitro cell-based assays are not applicable for Tos-PEG4-t-butyl ester, as it is not a biologically active compound. Its use is strictly limited to chemical synthesis. It is not tested in cell-based assays for direct biological activity. The biological activity is evaluated on the final PROTAC molecule that incorporates this linker.
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| Animal Protocol |
In vivo animal experiments are not applicable for Tos-PEG4-t-butyl ester as it is not a therapeutic agent. It is not administered to animals for pharmacological or toxicological studies. Its use is limited to the synthesis of other compounds. The pharmacokinetics of the final PROTAC can be studied in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties are not applicable for Tos-PEG4-t-butyl ester as a standalone drug substance. However, as part of a PROTAC, the PEG linker can enhance the solubility and stability of the conjugate, potentially improving its PK properties. The compound has a molecular weight of 432.53 and a molecular formula of C20H32O8S. The compound is a PROTAC linker.
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| Toxicity/Toxicokinetics |
Toxicology (toxicology) data are not relevant for Tos-PEG4-t-butyl ester as a standalone drug substance, as it is not administered to patients. As a chemical reagent, it should be handled with appropriate safety precautions. It may be an irritant if ingested, inhaled, or absorbed through the skin. Standard laboratory safety practices should be followed when handling this compound.
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| References |
Sano K, Nakajima T, Miyazaki K, Ohuchi Y, Ikegami T, Choyke PL, Kobayashi H. Short PEG-linkers improve the performance of targeted, activatable monoclonal antibody-indocyanine green optical imaging probes. Bioconjug Chem. 2013 May 15;24(5):811-6. doi: 10.1021/bc400050k. Epub 2013 May 3. PubMed PMID: 23600922; PubMed Central PMCID: PMC3674550.
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| Additional Infomation |
Other information: Tos-PEG4-t-butyl ester is a PEG-based PROTAC linker. It is also known as Tos-PEG4-Boc. The compound can be used in the synthesis of a series of PROTACs, such as BI-3663 (HY-111546). Its CAS number is 217817-01-1.
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| Molecular Formula |
C20H32O8S
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|---|---|
| Molecular Weight |
432.528285980225
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| Exact Mass |
432.181
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| CAS # |
217817-01-1
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| Related CAS # |
217817-01-1;
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| PubChem CID |
60146205
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| Appearance |
Colorless to light yellow liquid（Density：1.154±0.06 g/cm3）
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
528.5±45.0 °C at 760 mmHg
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| Flash Point |
273.4±28.7 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.495
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| LogP |
2.09
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
29
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| Complexity |
542
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC(C)=CC=1)(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C
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| InChi Key |
AAQWIVKRAHBPDM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H32O8S/c1-17-5-7-18(8-6-17)29(22,23)27-16-15-26-14-13-25-12-11-24-10-9-19(21)28-20(2,3)4/h5-8H,9-16H2,1-4H3
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| Chemical Name |
tert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate
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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 : ~100 mg/mL (~231.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.78 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (5.78 mM) 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; with ultrasonication. 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 (5.78 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3120 mL | 11.5599 mL | 23.1198 mL | |
| 5 mM | 0.4624 mL | 2.3120 mL | 4.6240 mL | |
| 10 mM | 0.2312 mL | 1.1560 mL | 2.3120 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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