| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Alkyl-Chain
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, Bis(2-bromoethyl) ether 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 bromine atoms are good leaving groups that can be displaced by nucleophiles such as amines or thiols. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its activity is derived from the final PROTAC molecule after conjugation with appropriate ligands. The in vivo efficacy of a complete PROTAC is determined in animal models.
|
| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays. As a synthetic intermediate, its quality is typically confirmed by analytical methods such as HPLC and NMR, with a standard purity of ≥98%.
|
| 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 typical synthesis, the bromine atoms are displaced by nucleophiles (e.g., amines or thiols) from target protein ligands or E3 ligase ligands in the presence of a base such as K2CO3.
|
| 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. The compound is typically formulated using a vehicle containing DMSO, PEG300, Tween-80, and saline.
|
| ADME/Pharmacokinetics |
This compound has a molecular weight of 231.92, a molecular formula of C4H8Br2O, and appears as a colorless to light yellow liquid. It is typically stored as a liquid at -20degC for up to 3 years or in a solvent at -80degC for 6 months. It is soluble in DMSO (100 mg/mL). The density is 1.8+/-0.1 g/cm3, and the boiling point is 216.3+/-0.0degC.
|
| Toxicity/Toxicokinetics |
This product is for research use only and is not for human or veterinary use. Standard chemical safety precautions should be observed during handling. It is a flammable liquid and should be kept away from heat and open flames. The bromine groups are reactive and should be handled with care to avoid premature reactions.
|
| References | |
| Additional Infomation |
This short, ether-linked alkyl linker provides a flexible spacer with two identical reactive ends, enabling symmetric conjugation to two different ligands. It is a simple but versatile building block for constructing PROTACs, ADC linkers, and other bifunctional molecules for bioconjugation and drug delivery research.
|
| Molecular Formula |
C4H8BR2O
|
|---|---|
| Molecular Weight |
231.92
|
| Exact Mass |
229.894
|
| CAS # |
5414-19-7
|
| PubChem CID |
21521
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
216.3±0.0 °C at 760 mmHg
|
| Flash Point |
85.0±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.506
|
| LogP |
1.87
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
7
|
| Complexity |
28.9
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(CBr)OCCBr
|
| InChi Key |
FOZVXADQAHVUSV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
|
| Chemical Name |
1-bromo-2-(2-bromoethoxy)ethane
|
| 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 :~100 mg/mL (~431.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.78 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 (10.78 mM) 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; with ultrasonication. 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 (10.78 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 | 4.3118 mL | 21.5592 mL | 43.1183 mL | |
| 5 mM | 0.8624 mL | 4.3118 mL | 8.6237 mL | |
| 10 mM | 0.4312 mL | 2.1559 mL | 4.3118 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
