| Size | Price | Stock | Qty |
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| 5g |
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| 10g |
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| 25g |
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| 50g |
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| Other Sizes |
| Targets |
This compound functions strictly as a linker scaffold and does not directly bind any therapeutic target; its role is to connect an E3 ubiquitin ligase ligand to a target protein-binding warhead in PROTAC design.
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|---|---|
| ln Vitro |
PROTAC contains two distinct ligands linked by a single linker: one is the ligand for the E5 ubiquitin ligase, and the other is the ligand for the target protein. PROTAC utilizes the intracellular ubiquitin-proteasome system to selectively degrade the target protein.
In vitro, this compound has no independent biological activity; its function is realized only when incorporated into a complete PROTAC molecule after iodine displacement and benzyl removal/hydrogenolysis. |
| ln Vivo |
In vivo, the linker alone has no pharmacological activity; all in vivo effects derive from intact PROTACs incorporating this linker after both handles are derivatized.
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| Enzyme Assay |
The iodine atom undergoes SN2 substitution with nucleophiles (amines, thiols) (1.0-1.2 eq nucleophile, base, DMF/DMSO, 40-60degC, 6-24 h). The benzyl ether protecting group is removed by hydrogenolysis (H2, Pd/C, MeOH, RT, 2-6 h) to reveal a primary alcohol, which can then be activated for further conjugation. The ethylene glycol (PEG1) spacer provides a short, hydrophilic tether (approximately 4-5 Angstrom).
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| Cell Assay |
Cell-based evaluation of PROTACs built from this linker follows standard protocols. Target-expressing cells are seeded in 6-well plates, treated with serial dilutions of PROTAC (0.01 nM to 10 microM) for 4-24 h, lysed in RIPA buffer, and analyzed by Western blot using target-specific primary antibodies and HRP-conjugated secondary antibodies with ECL detection. DC50 values calculated.
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| Animal Protocol |
Animal studies are conducted with the final PROTAC in xenograft mouse models. Female athymic nude mice bearing tumors (100-200 mm3) are randomized (n=6-10). PROTAC formulated in vehicle, administered IP/PO QD/Q2D at 1-30 mg/kg for 14-28 days. Tumor volume and body weight monitored. At endpoint, tumors excised for immunoblot and IHC.
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| ADME/Pharmacokinetics |
No PK data exist for the isolated linker; PK is determined by the final PROTAC. The ethylene glycol spacer is hydrophilic and resistant to metabolism. The iodine is consumed. The benzyl group is removed. Typical PROTAC PK: IV t1/2 2-8 h, CL 10-30 mL/min/kg, Vd 1-3 L/kg; PO bioavailability 5-30%.
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| Toxicity/Toxicokinetics |
No formal toxicity data for the isolated linker. ((2-Iodoethoxy)methyl)benzene is a liquid, purity ≥95%. GHS hazards: H315, H319, H335, H302. Light-sensitive. Use PPE, fume hood. For the final PROTAC, toxicity assessment includes monitoring body weight, clinical signs, serum chemistry, hematology, and histopathology. Off-target degradation assessed by proteomics.
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| Additional Infomation |
((2-Iodoethoxy)methyl)benzene, CAS 54555-84-9, molecular formula C9H11IO, MW 262.09. It is a research-use linker for PROTACs.
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| Molecular Formula |
C9H11IO
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|---|---|
| Molecular Weight |
262.09
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| Exact Mass |
261.985
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| CAS # |
54555-84-9
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| PubChem CID |
10355314
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| Appearance |
Colorless to light yellow liquid
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
11
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| Complexity |
89.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)COCCI
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| InChi Key |
NYACRWGQRUIHSO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H11IO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
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| Chemical Name |
2-iodoethoxymethylbenzene
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 3.8155 mL | 19.0774 mL | 38.1548 mL | |
| 5 mM | 0.7631 mL | 3.8155 mL | 7.6310 mL | |
| 10 mM | 0.3815 mL | 1.9077 mL | 3.8155 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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