| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
Purity: ≥98%
| Targets |
As a linker, Amino-PEG1-t-butyl ester does not have a traditional biological target. It is a chemical tool used in the synthesis of PROTACs and other bioconjugates. Its role is to connect two functional molecules. The t-butyl ester serves as a protecting group for the carboxylic acid, which can be deprotected under acidic conditions for further conjugation.
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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, Amino-PEG1-t-butyl ester is used as a building block in the synthesis of PROTACs. Its utility is demonstrated by the successful creation of these bifunctional molecules. The amino group allows for amide bond formation with carboxylic acids, while the t-butyl ester can be deprotected to reveal a carboxylic acid for further coupling. The PEG spacer provides flexibility and solubility. |
| ln Vivo |
In vivo applications of Amino-PEG1-t-butyl ester are realized through the PROTACs it helps construct. These PROTACs are designed to have therapeutic effects by degrading disease-causing proteins. The linker's properties influence the PROTAC's pharmacokinetics and efficacy. The compound is a research tool for developing protein degraders.
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| Enzyme Assay |
In vitro assays for Amino-PEG1-t-butyl ester typically involve confirming its structure and purity by NMR and mass spectrometry. Its reactivity, such as amide bond formation, can be demonstrated by synthesizing a small molecule conjugate and confirming the product. The deprotection of the t-butyl ester can be monitored by HPLC. These protocols are for research purposes only.
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| Cell Assay |
In vitro cell-based assays for Amino-PEG1-t-butyl ester are performed on the final PROTAC, not the linker alone. Target protein degradation is assessed by Western blot in cells treated with the PROTAC. The potency of degradation (DC₅₀) and the maximum degradation (Dmax) are determined. The PROTAC's effect on cell viability can be measured using MTT or CellTiter-Glo assays. Standard cell culture conditions are used.
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| Animal Protocol |
In vivo animal studies for Amino-PEG1-t-butyl ester are conducted with the final PROTAC. Xenograft mouse models are used to evaluate antitumor efficacy if the target protein is involved in cancer. The PROTAC is administered via intraperitoneal or oral routes. Tumor growth inhibition is monitored, and pharmacodynamic studies assess target protein degradation in tumor tissues. Pharmacokinetic studies evaluate the PROTAC's exposure and half-life. All procedures must comply with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Amino-PEG1-t-butyl ester are not characterized independently. As a PEG-based linker, it contributes to the overall properties of the PROTAC, such as solubility and stability. The linker's short PEG1 spacer provides minimal flexibility but increases solubility. The compound is for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of Amino-PEG1-t-butyl ester is evaluated as part of the final PROTAC. The linker itself is designed to be non-toxic. The toxicity of the PROTAC is primarily determined by the target protein degradation and off-target effects. The compound is a research chemical, and its safety for human use has not been established.
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| References | |
| Additional Infomation |
Additional information: Amino-PEG1-t-butyl ester has the CAS number 1260092-46-3. Its molecular formula is C₉H₁₉NO₃. It is a PEG-based linker containing an amino group and a t-butyl protected carboxyl group. It is used in PROTAC synthesis. This product is for research use only and is not approved for clinical or therapeutic applications.
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| Molecular Formula |
C9H19NO3
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|---|---|
| Molecular Weight |
189.252063035965
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| Exact Mass |
189.136
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| CAS # |
1260092-46-3
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| Related CAS # |
1260092-46-3;
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| PubChem CID |
59256380
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
264.9±15.0 °C at 760 mmHg
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| Flash Point |
90.5±16.7 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.445
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| LogP |
0.84
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
13
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| Complexity |
151
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(CCOCCN)=O)C(C)(C)C
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| InChi Key |
NSCCYXHEZRMPPH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7,10H2,1-3H3
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| Chemical Name |
tert-butyl 3-(2-aminoethoxy)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 | 5.2840 mL | 26.4201 mL | 52.8402 mL | |
| 5 mM | 1.0568 mL | 5.2840 mL | 10.5680 mL | |
| 10 mM | 0.5284 mL | 2.6420 mL | 5.2840 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.
Products are for research use only; We do not sell to patients
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