| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
m-PEG4-t-butyl ester does not target a biological receptor; its function is as a chemical linker. The t-butyl protected carboxyl group can be deprotected under acidic conditions to reveal a carboxylic acid, which can then be conjugated to primary amines via amide bond formation. In ADCs, it connects the antibody to the cytotoxic payload. In PROTACs, it links the E3 ligase ligand to the target protein ligand.
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|---|---|
| ln Vitro |
ADC cytotoxins are connected to antibodies through an ADC connector to form ADCs [1]. Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system [2].
As a chemical linker, m-PEG4-t-butyl ester has no intrinsic biological activity. Its utility is defined by its chemical reactivity: the t-butyl ester can be cleaved under acidic conditions to generate a free carboxylic acid for subsequent conjugation reactions. The PEG4 spacer enhances solubility and flexibility of the final conjugate. |
| ln Vivo |
No direct in vivo activity is attributed to m-PEG4-t-butyl ester. It functions as a linker in ADCs and PROTACs. In ADCs, the linker connects the antibody to the cytotoxic drug, enabling targeted delivery to cancer cells. The t-butyl ester provides a protected handle that can be selectively deprotected to enable conjugation. The PEG4 spacer improves the pharmacokinetic properties of the final conjugate.
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| Enzyme Assay |
For non-cell-based assays, m-PEG4-t-butyl ester is characterized by NMR and HPLC (≥98% purity). The t-butyl ester group can be cleaved under acidic conditions (e.g., TFA in DCM) to yield the free acid, and the reaction progress can be monitored by TLC or HPLC. The compound's solubility in various solvents can be assessed.
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| Cell Assay |
Cell-based assays are not performed on m-PEG4-t-butyl ester alone. It is used as a building block to synthesize ADCs or PROTACs, which are then evaluated in cell culture. Standard protocols involve treating cancer cell lines with the conjugate at varying concentrations (0.001-10 µM) for 24-72 hours, followed by assessment of cytotoxicity, target protein degradation, or other relevant endpoints.
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| Animal Protocol |
In vivo studies with m-PEG4-t-butyl ester are conducted using the final ADC or PROTAC construct. Typical protocols involve administering the conjugate to tumor-bearing mouse models via intravenous injection at doses of 1-10 mg/kg. The PEG4 spacer contributes to prolonged circulation half-life and reduced immunogenicity. Efficacy is assessed by tumor volume measurements and survival analysis.
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| ADME/Pharmacokinetics |
As a linker intermediate, m-PEG4-t-butyl ester does not have independent PK properties. The t-butyl ester is a protecting group that is typically removed before final conjugation. Once incorporated into an ADC or PROTAC, the PEG4 spacer contributes to favorable PK by increasing aqueous solubility and reducing clearance. The compound has a LogP of 1.414.
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| Toxicity/Toxicokinetics |
Toxicology data specific to m-PEG4-t-butyl ester are limited. The compound is handled with standard laboratory safety practices. The t-butyl ester group is generally considered non-toxic. The PEG4 moiety is biocompatible. No significant acute toxicity is expected at research concentrations. Store at -20°C for long-term stability.
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| References | |
| Additional Infomation |
m-PEG4-t-butyl ester is a cleavable ADC linker containing 4 PEG units. It is also a PEG-based PROTAC linker. Synonyms include 3-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}propionic acid tert-butyl ester and m-PEG4-Boc. The t-butyl protected carboxyl group can be deprotected under acidic conditions. No clinical trials exist.
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| Molecular Formula |
C14H28O6
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|---|---|
| Molecular Weight |
292.368525505066
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| Exact Mass |
292.189
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| CAS # |
883554-11-8
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| PubChem CID |
44622260
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| Appearance |
Colorless to off-white liquid
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| LogP |
1.414
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
20
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| Complexity |
236
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(CCOCCOCCOCCOC)OC(C)(C)C
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| InChi Key |
JUINYDFUOXIVCX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H28O6/c1-14(2,3)20-13(15)5-6-17-9-10-19-12-11-18-8-7-16-4/h5-12H2,1-4H3
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| Chemical Name |
tert-butyl 3-[2-[2-(2-methoxyethoxy)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) |
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 | 3.4203 mL | 17.1016 mL | 34.2032 mL | |
| 5 mM | 0.6841 mL | 3.4203 mL | 6.8406 mL | |
| 10 mM | 0.3420 mL | 1.7102 mL | 3.4203 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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