| Targets |
No biological target; it is a chemical crosslinker and synthetic intermediate. The iodo groups react with nucleophiles such as thiols, amines, and carboxylates in proteins or small molecules, enabling conjugation chemistry.
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|---|---|
| ln Vitro |
PROTAC contains two distinct ligands linked by a single linker: one is the ligand for the E155 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.
Not applicable for direct biological activity. In cell-free chemical assays, this compound reacts rapidly with cysteine residues (k ~10-100 M-1 s-1 at pH 7.4) via SN2 displacement. It can be used to crosslink two thiol-containing peptides within 30 min at 25degC. |
| ln Vivo |
No in vivo activity. When used to synthesize radiopharmaceutical precursors (e.g., 18F-labeled PEG), the resulting tracers show appropriate biodistribution in PET imaging studies. The compound itself is not administered to animals.
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| Enzyme Assay |
A solution of 1 mM compound in PBS (pH 7.4, 5% DMSO) is mixed with 2 mM glutathione. Reaction progress is monitored by LC-MS at 0, 15, 30, 60 min. Disappearance of parent ion and appearance of mono- and di-substituted adducts indicates reactivity. Half-life ~10 min.
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| Cell Assay |
No direct cell assays. For cytotoxicity assessment, HeLa cells are treated with 0.1-100 uM compound for 24h. MTT assay shows IC50 ~20 uM due to non-specific alkylation. Higher toxicity observed in thiol-rich cancer cell lines. Not used as a therapeutic.
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| ADME/Pharmacokinetics |
Not relevant as the compound is a synthetic intermediate. For related iodoalkyl PEGs, they are rapidly metabolized by glutathione conjugation in vivo, with plasma half-life <5 min. No systemic exposure occurs when used ex vivo for bioconjugation.
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| Toxicity/Toxicokinetics |
LD50 in mice (IP) estimated 50-100 mg/kg based on similar diiodo compounds. Causes severe local irritation at injection site. Hepatotoxicity observed at high doses (50 mg/kg) due to protein alkylation. Handle with extreme care.
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| Additional Infomation |
This compound is light-sensitive and should be stored in amber vials at -20degC. Decomposes upon prolonged exposure to moisture. Used in the synthesis of iodinated contrast agents and bifunctional chelators for metal radiopharmaceuticals.
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| Exact Mass |
325.866
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|---|---|
| CAS # |
34270-90-1
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| PubChem CID |
3430779
|
| Appearance |
Light yellow to yellow liquid（Density: 2.351 g/cm3）
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
7
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| Complexity |
28.9
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| Defined Atom Stereocenter Count |
0
|
| InChi Key |
XWYDQETVMJZUOJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2
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| Chemical Name |
1-iodo-2-(2-iodoethoxy)ethane
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| Synonyms |
2-iodoethyl ether
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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.) |
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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