| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Acid-PEG4-mono-methyl ester does not have a specific biological target, as it is a chemical linker. Its function is to serve as a covalent connector between molecular components in the synthesis of PROTACs. The terminal carboxylic acid is a target for conjugation with primary amines to form amide bonds. The methyl ester group provides a protected carboxyl group that can be deprotected for further conjugation. The hydrophilic PEG4 spacer enhances solubility and reduces steric hindrance.
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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.
Acid-PEG4-mono-methyl ester, as a linker, does not possess any direct in vitro biological activity. Its function is to enable the synthesis of bioactive conjugates. The in vitro activity of this linker is assessed indirectly through the characterization of the final conjugates it helps to create. For instance, when used to synthesize a PROTAC, the biological activity is measured by the extent of target protein degradation in cell-based assays. |
| ln Vivo |
Acid-PEG4-mono-methyl ester is not intended for in vivo use as a standalone compound. Its relevance in vivo is as a component of larger conjugates, such as PROTACs. In these contexts, the hydrophilic PEG4 spacer contributes to the overall pharmacokinetic profile of the conjugate by improving solubility and reducing aggregation. However, the specific in vivo activity—such as target protein degradation—is determined by the PROTAC's target-binding and E3 ligase-recruiting moieties, not the linker itself.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for Acid-PEG4-mono-methyl ester, as it is a chemical reagent. Its characterization is performed using analytical chemistry techniques such as NMR, HPLC, and MS to verify its structure and purity. The functionality of the carboxylic acid can be confirmed by reacting it with a model amine and monitoring the formation of the amide bond.
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| Cell Assay |
There are no standard in vitro cell-based assays for Acid-PEG4-mono-methyl ester itself, as it is not a bioactive molecule. Its use in cell biology is indirect, as a reagent for constructing bioconjugates. For example, when used to create a PROTAC, the PROTAC's ability to degrade a target protein would be evaluated in cell-based assays. The linker's role is to ensure the PROTAC is functional and stable.
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| Animal Protocol |
Acid-PEG4-mono-methyl ester is not used in in vivo animal experiments as a standalone compound. It is a synthetic building block for creating bioconjugates such as PROTACs. Animal studies would be conducted on the final, larger conjugates that incorporate this linker. In such studies, the linker's contribution to the overall pharmacokinetic and pharmacodynamic profile of the conjugate might be assessed. However, there is no standard animal protocol for the linker itself.
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| ADME/Pharmacokinetics |
Acid-PEG4-mono-methyl ester has a molecular weight of 308.32 g/mol and a molecular formula of C13H24O8. It has a CAS number of 2028284-75-3. It is a solid compound with a purity of >95%. For storage, it is recommended to keep the powder at -20°C. Detailed pharmacokinetic properties are not relevant as the compound is a linker, not a therapeutic agent.
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| Toxicity/Toxicokinetics |
Acid-PEG4-mono-methyl ester is considered to have low toxicity, consistent with other PEG-based linkers. PEG polymers are widely regarded as biocompatible, non-toxic, and non-immunogenic. The compound is classified as a research reagent, and standard laboratory safety precautions should be followed when handling it. Its toxicity profile has not been extensively studied, but due to its intended use and chemical class, it is not expected to be acutely toxic.
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| References | |
| Additional Infomation |
Acid-PEG4-mono-methyl ester is a research-use-only reagent and is not a drug, nor is it approved for any clinical or therapeutic use. It is a PEG-based PROTAC linker with a terminal carboxylic acid and a mono-methyl ether cap. It is a heterobifunctional PEG-based linker featuring a terminal carboxylic acid and a methyl ester-protected carboxyl group separated by a PEG4 spacer. It is a valuable tool for medicinal chemists and chemical biologists working on targeted protein degradation.
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| Molecular Formula |
C13H24O8
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|---|---|
| Molecular Weight |
308.324865341187
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| Exact Mass |
308.147
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| CAS # |
2028284-75-3
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| PubChem CID |
123132083
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| Appearance |
Light yellow to yellow liquid（Density：1.156 g/cm3）
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| LogP |
-1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
21
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| Complexity |
269
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)CCOCCOCCOCCOCCC(=O)O
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| InChi Key |
MOGNNSWXCSXEEM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H24O8/c1-17-13(16)3-5-19-7-9-21-11-10-20-8-6-18-4-2-12(14)15/h2-11H2,1H3,(H,14,15)
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| Chemical Name |
3-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanoic acid
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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 | 3.2434 mL | 16.2169 mL | 32.4338 mL | |
| 5 mM | 0.6487 mL | 3.2434 mL | 6.4868 mL | |
| 10 mM | 0.3243 mL | 1.6217 mL | 3.2434 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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