| Targets |
Hydroxy-PEG2-acid targets the conjugation chemistry of PROTAC synthesis rather than specific biological receptors. As a PEG-based PROTAC linker, it contains two different functional groups: a hydroxyl group (-OH) and a carboxylic acid group (-COOH). One ligand is for an E3 ubiquitin ligase and the other is for the target protein, connected by the PEG linker. The PEG spacer enhances the solubility and stability of the resulting PROTACs. The hydroxyl group can be further functionalized, while the carboxylic acid enables amide bond formation with amine-containing molecules.
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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].
In vitro, Hydroxy-PEG2-acid is used as a building block for the synthesis of PROTACs rather than as a directly active biological agent. Its primary in vitro application is in bioconjugation chemistry, where it serves as a versatile linker to connect target protein ligands to E3 ligase ligands. The PEG spacer enhances the solubility and stability of the resulting PROTACs in aqueous solutions. Studies have demonstrated that the compound can effectively serve as a linker in PROTAC synthesis, enabling targeted protein degradation. |
| ln Vivo |
In vivo, Hydroxy-PEG2-acid is not administered directly but is used to synthesize PROTACs that are evaluated in animal models. The PEG spacer enhances the solubility, stability, and bioavailability of the resulting PROTACs. The compound's role as a linker in PROTAC synthesis enables the development of chimeric molecules that induce degradation of disease-relevant proteins. Its utility in drug development has been validated in various preclinical studies involving PROTAC-based therapeutics.
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| Enzyme Assay |
In cell-free biochemical assays, Hydroxy-PEG2-acid is characterized for its chemical properties and conjugation efficiency. The compound's purity (>95%) and molecular weight (178.18 g/mol) are determined using analytical techniques such as HPLC and mass spectrometry. Its reactivity with carboxylic acids and hydroxyl groups is assessed to ensure compatibility with conjugation reactions. The compound's solubility in aqueous and organic solvents is evaluated. Stability studies under various storage conditions are conducted to ensure the integrity of the linker.
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| Cell Assay |
Cellular assays for Hydroxy-PEG2-acid are evaluated indirectly through the biological activity of the PROTACs synthesized using this linker. The resulting PROTACs are tested for their ability to degrade target proteins in cell lines. The PEG linker's effect on cellular uptake, intracellular trafficking, and protein degradation activity is assessed. The compound itself is not biologically active and serves only as a structural component.
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| Animal Protocol |
Animal models for Hydroxy-PEG2-acid involve evaluating the PROTACs synthesized using this linker in preclinical studies. The resulting PROTACs are tested in disease models relevant to the target protein. The PEG linker's effect on pharmacokinetics, biodistribution, and efficacy is assessed. The compound's role in enabling targeted protein degradation has been demonstrated in various preclinical studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Hydroxy-PEG2-acid are not typically reported, as the compound is a linker rather than a therapeutic agent. The compound has a molecular weight of 178.18 g/mol with a molecular formula of C7H14O5. The CAS number is 1334286-77-9. The compound is soluble in DMF, DMSO, ethanol, and water. It should be stored at 2-8°C. The compound has a boiling point of 350.0±27.0 °C and a density of 1.196±0.06 g/cm3.
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| Toxicity/Toxicokinetics |
The toxicity profile of Hydroxy-PEG2-acid is not extensively documented, as the compound is a linker rather than a pharmacologically active agent. The compound is supplied at >95% purity and is intended for research use only. Standard safety precautions for handling laboratory chemicals apply. The compound is not intended for human use or therapeutic applications. Appropriate handling and disposal procedures should be followed to minimize exposure and environmental impact.
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| References | |
| Additional Infomation |
Hydroxy-PEG2-acid is a PEG-based PROTAC linker used in the synthesis of proteolysis-targeting chimeras. It contains a hydroxyl group and a carboxylic acid group linked through a short PEG chain. The compound has a molecular weight of 178.18 g/mol and formula C7H14O5. The CAS number is 1334286-77-9. It is used in bioconjugation, drug development, and PROTAC synthesis.
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| Molecular Formula |
C7H14O5
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|---|---|
| Molecular Weight |
178.183
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| Exact Mass |
178.084
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| CAS # |
1334286-77-9
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| Related CAS # |
51951-04-3 (Na);1334286-77-9;
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| PubChem CID |
53982931
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| Appearance |
Colorless to light yellow liquid
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| LogP |
-1.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
12
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| Complexity |
114
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(COCCOCCO)C(=O)O
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| InChi Key |
CMSNAEFYMNLDLU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H14O5/c8-2-4-12-6-5-11-3-1-7(9)10/h8H,1-6H2,(H,9,10)
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| Chemical Name |
3-[2-(2-hydroxyethoxy)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 | 5.6123 mL | 28.0615 mL | 56.1230 mL | |
| 5 mM | 1.1225 mL | 5.6123 mL | 11.2246 mL | |
| 10 mM | 0.5612 mL | 2.8062 mL | 5.6123 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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