| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
| Targets |
NH-bis(PEG4-t-butyl ester) does not have a biological target itself but serves as a structural linker in PROTAC molecules. In a PROTAC, one ligand binds to an E3 ubiquitin ligase, and the other binds to the target protein for degradation. The linker connects these two ligands, bringing the target protein into proximity with the E3 ligase to facilitate ubiquitination and subsequent proteasomal degradation. The amino group provides reactivity for conjugation, while the t-butyl esters protect the carboxylic acid precursors.
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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. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
As a linker molecule, NH-bis(PEG4-t-butyl ester) does not exhibit intrinsic biological activity. Its utility is in the synthesis of PROTACs for targeted protein degradation. The amino group enables conjugation to carboxylic acid-containing ligands via amide bond formation. The t-butyl ester groups protect the terminal carboxylates during synthesis and can be deprotected under acidic conditions for further functionalization. The PEG spacer improves aqueous solubility and provides appropriate distance between ligands. |
| ln Vivo |
NH-bis(PEG4-t-butyl ester) is not a pharmacologically active compound and does not have direct in vivo activity. Its in vivo behavior is determined by the final PROTAC molecule in which it is incorporated. The PEG linker can improve the solubility, stability, and pharmacokinetic properties of the PROTAC. In vivo studies are conducted on the complete PROTAC rather than the linker alone. The linker enables targeted protein degradation in research contexts.
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| Enzyme Assay |
In vitro conjugation protocols for NH-bis(PEG4-t-butyl ester) typically involve amide bond formation between the amino group and carboxylic acid-containing ligands using carbodiimide coupling agents (e.g., HATU, HBTU, or EDC) in the presence of a base (e.g., DIPEA or TEA). The reaction is carried out in anhydrous organic solvents (e.g., DMF or DCM) at room temperature for 2-24 hours. The t-butyl ester groups are stable under these conditions. Deprotection can be achieved with TFA in DCM. The product is purified by preparative HPLC or flash chromatography. Reaction progress is monitored by TLC or LC-MS.
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| Cell Assay |
For cell-based studies, NH-bis(PEG4-t-butyl ester) is used as an intermediate in PROTAC synthesis. The final PROTAC is tested in relevant cell lines. Cells are cultured in appropriate medium and treated with the PROTAC at various concentrations (typically 0.01-10 μM) for 4-24 hours. Target protein degradation is assessed by Western blotting. Cell viability may be measured by MTT or CellTiter-Glo. The linker itself is not expected to exhibit cellular activity. All treatments include vehicle controls and are performed in triplicate.
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| Animal Protocol |
In vivo studies are conducted on the complete PROTAC incorporating NH-bis(PEG4-t-butyl ester). Animal models (e.g., tumor xenografts for oncology targets) are used to assess efficacy, pharmacokinetics, and toxicity. Administration routes (IV, IP, or oral) and dosing regimens vary depending on the PROTAC and model. Endpoints include tumor volume measurement, biomarker analysis (target protein levels), and survival. The PEG linker contributes to the overall pharmacokinetic profile of the PROTAC. All procedures follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
NH-bis(PEG4-t-butyl ester) (C₃₀H₅₉NO₁₂, MW 625.8) is a hydrophilic PEG-based linker. Its pharmacokinetic properties are determined by the final PROTAC, but the PEG moiety generally improves aqueous solubility and reduces aggregation. The t-butyl ester groups provide orthogonal protection for controlled deprotection and functionalization. The linker provides appropriate spacing for optimal ternary complex formation. Detailed PK parameters are available from studies on specific PROTACs. The compound is designed for research applications.
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| Toxicity/Toxicokinetics |
Toxicology data for NH-bis(PEG4-t-butyl ester) are limited, as the compound is a research linker rather than a therapeutic agent. PEG-based linkers are generally considered biocompatible and have low toxicity. The safety profile of the final PROTAC depends on the target and ligands. Standard toxicology studies are performed on the complete PROTAC rather than the linker alone. The compound is for research use only and not intended for human therapeutic applications.
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| References | |
| Additional Infomation |
NH-bis(PEG4-t-butyl ester) (also known as NH-bis(PEG4-Boc)) is a research-grade PROTAC linker for targeted protein degradation studies. Its primary applications include chemical biology and drug discovery research. The compound enables the construction of PROTACs that selectively degrade target proteins via the ubiquitin-proteasome system. It is not a drug and has no clinical applications. The orthogonal protection allows flexible conjugation strategies. The compound is commercially available from various chemical suppliers for research purposes only.
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| Molecular Formula |
C30H59NO12
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|---|---|
| Molecular Weight |
625.788971185684
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| Exact Mass |
625.403
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| CAS # |
2055041-41-1
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| PubChem CID |
123132136
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| Appearance |
Colorless to light yellow liquid
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| LogP |
0.2
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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 |
34
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| Heavy Atom Count |
43
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| Complexity |
598
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCC(=O)OC(C)(C)C
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| InChi Key |
ZNEKZIKFKNVSRU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H59NO12/c1-29(2,3)42-27(32)7-11-34-15-19-38-23-25-40-21-17-36-13-9-31-10-14-37-18-22-41-26-24-39-20-16-35-12-8-28(33)43-30(4,5)6/h31H,7-26H2,1-6H3
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| Chemical Name |
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 1.5980 mL | 7.9899 mL | 15.9798 mL | |
| 5 mM | 0.3196 mL | 1.5980 mL | 3.1960 mL | |
| 10 mM | 0.1598 mL | 0.7990 mL | 1.5980 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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