| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
Propargyl-PEG1-SS-PEG1-t-butyl ester is a linker molecule and does not have a specific biological target. Its functional groups are its reactive sites: the propargyl group reacts with azides in copper-catalyzed azide-alkyne cycloaddition (CuAAC); the disulfide bond is cleaved by reducing agents such as glutathione (GSH) in the intracellular environment; and the t-butyl ester can be deprotected to a carboxylic acid for further conjugation.
|
|---|---|
| ln Vitro |
Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system. An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
The in vitro activity of Propargyl-PEG1-SS-PEG1-t-butyl ester is defined by its chemical reactivity. The propargyl group enables efficient CuAAC reactions with azide-containing molecules, and the disulfide bond is cleaved in the presence of reducing agents such as DTT or GSH. The compound's utility as a linker is assessed by its ability to form stable conjugates and to release payloads under reducing conditions. |
| ln Vivo |
Propargyl-PEG1-SS-PEG1-t-butyl ester is not a therapeutic agent and is not administered in vivo. It is used as a research tool for the synthesis of bioconjugates that are then evaluated in vivo. The compound is a key component in the development of ADCs and other targeted drug delivery systems.
|
| Enzyme Assay |
The reactivity of Propargyl-PEG1-SS-PEG1-t-butyl ester is assessed using chemical conjugation assays. The propargyl group is reacted with an azide-containing compound under CuAAC conditions, and the formation of the triazole product is confirmed by analytical methods. The disulfide bond is cleaved by treating the compound with a reducing agent (e.g., DTT), and the cleavage is monitored by HPLC or mass spectrometry. The t-butyl ester is deprotected under acidic conditions.
|
| Cell Assay |
Propargyl-PEG1-SS-PEG1-t-butyl ester is used in the synthesis of bioconjugates for cellular assays. For example, it can be used to conjugate a targeting ligand to a cytotoxic payload via the propargyl group, and the resulting conjugate can be tested for cellular uptake, intracellular release, and cytotoxicity. The disulfide bond is cleaved in the reducing environment of the cell, releasing the payload.
|
| Animal Protocol |
Propargyl-PEG1-SS-PEG1-t-butyl ester is not administered in animal models. It is used to synthesize drug conjugates that are subsequently tested in vivo. The linker's ability to release the payload in the tumor microenvironment is evaluated through pharmacokinetic and pharmacodynamic studies of the conjugate.
|
| ADME/Pharmacokinetics |
Propargyl-PEG1-SS-PEG1-t-butyl ester has a molecular weight of 336.47 g/mol and a molecular formula of C14H24O5S2. It is a small, hydrophobic molecule that is soluble in organic solvents such as DMSO and dichloromethane. The compound should be stored at -20°C under appropriate conditions to maintain stability.
|
| Toxicity/Toxicokinetics |
Propargyl-PEG1-SS-PEG1-t-butyl ester is a chemical reagent and is not intended for human use. Standard laboratory safety precautions should be followed when handling the compound. Toxicity data for the compound itself is not available, as it is not a pharmaceutical active ingredient.
|
| References | |
| Additional Infomation |
Propargyl-PEG1-SS-PEG1-t-butyl ester is a research-grade PEG linker used in the synthesis of bioconjugates, including antibody-drug conjugates (ADCs) and PROTACs. The disulfide bond provides a cleavable linker that can release the payload in the reducing environment of cells, making it useful for targeted drug delivery applications. The propargyl group enables click chemistry conjugation, and the t-butyl ester allows for selective deprotection. The compound is not approved for clinical use and is intended for research purposes only.
|
| Molecular Formula |
C14H24O4S2
|
|---|---|
| Molecular Weight |
320.467962265015
|
| Exact Mass |
320.111
|
| CAS # |
1807518-78-0
|
| PubChem CID |
91757791
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
407.4±40.0 °C at 760 mmHg
|
| Flash Point |
187.0±15.4 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.510
|
| LogP |
3.84
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
13
|
| Heavy Atom Count |
20
|
| Complexity |
304
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(CCOCCC(=O)OC(C)(C)C)SCCOCC#C
|
| InChi Key |
HXQOZIFQBVKJGA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H24O4S2/c1-5-7-16-9-11-19-20-12-10-17-8-6-13(15)18-14(2,3)4/h1H,6-12H2,2-4H3
|
| Chemical Name |
tert-butyl 3-[2-(2-prop-2-ynoxyethyldisulfanyl)ethoxy]propanoate
|
| 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) |
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
|
|---|---|
| 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 | 3.1204 mL | 15.6021 mL | 31.2042 mL | |
| 5 mM | 0.6241 mL | 3.1204 mL | 6.2408 mL | |
| 10 mM | 0.3120 mL | 1.5602 mL | 3.1204 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
