| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
||
| Other Sizes |
| Targets |
PEGs
PROTAC Linkers. |
|---|---|
| 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, Cl-PEG2-acid itself has no intrinsic biological activity; it serves as a structural connector to join a target protein ligand and an E3 ubiquitin ligase ligand in PROTAC synthesis. The two reactive terminal groups (carboxylic acid and chloride) allow for selective conjugation to different molecular entities. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its pharmacological activity is derived from the final PROTAC molecule after conjugation with appropriate ligands. The in vivo efficacy of the complete PROTAC is evaluated in animal models.
|
| Enzyme Assay |
N/A; this compound is not assessed in enzyme/receptor binding assays. Its quality is typically confirmed by analytical methods such as HPLC and NMR, with a standard purity of 97% and a molecular weight of 182.60.
|
| Cell Assay |
N/A; this linker is not tested alone in cell-based assays. It is used as a building block for constructing PROTACs. In a standard cellular assay, a complete PROTAC synthesized from this linker is incubated with target-expressing cells. Protein degradation is measured by Western blotting to determine the DC50.
|
| Animal Protocol |
N/A; no animal studies are performed with the linker alone. For the final PROTAC conjugate, in vivo studies are conducted to evaluate its pharmacokinetic properties and efficacy in tumor xenograft models. The compound is typically formulated using a vehicle containing DMSO, PEG300, Tween-80, and saline.
|
| ADME/Pharmacokinetics |
This compound is a liquid at 20degC. It has a molecular weight of 182.60 and a molecular formula of C6H11ClO4. It is typically stored in a cool, dry place for long-term stability. It is soluble in DMSO at 240 mg/mL (1314.35 mM) and is stable under recommended storage conditions.
|
| Toxicity/Toxicokinetics |
This product is for laboratory research use only and is not intended for human therapeutic or clinical applications. Standard chemical safety precautions should be observed during handling.
|
| References |
[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
|
| Additional Infomation |
The carboxylic acid group can be activated with EDC or NHS to form an amide bond with an amine-containing ligand. The terminal chloride group is a good leaving group for nucleophilic substitution reactions, for example, with thiols or amines. This dual reactivity makes it a highly versatile building block not only for PROTACs but also for ADCs and other bioconjugates.
|
| Molecular Formula |
C6H11CLO4
|
|---|---|
| Molecular Weight |
182.6021
|
| Exact Mass |
182.034
|
| CAS # |
170304-76-4
|
| PubChem CID |
59079400
|
| Appearance |
Liquid（Density：1.248±0.06 g/cm3）
|
| LogP |
0.1
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
11
|
| Complexity |
107
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C(=O)O[H]
|
| InChi Key |
WNFWETCQRCCYKU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H11ClO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5H2,(H,8,9)
|
| Chemical Name |
2-[2-(2-chloroethoxy)ethoxy]acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO :~240 mg/mL (~1314.35 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.69 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (13.69 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (13.69 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4765 mL | 27.3823 mL | 54.7645 mL | |
| 5 mM | 1.0953 mL | 5.4765 mL | 10.9529 mL | |
| 10 mM | 0.5476 mL | 2.7382 mL | 5.4765 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
