| Targets |
Propargyl-PEG1-amine does not have a specific biological target. It is a chemical linker used in bioconjugation and drug discovery. The amine group reacts with carboxylic acids, activated NHS esters, and carbonyls to form stable amide bonds, while the alkyne group enables click chemistry conjugation.
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|---|---|
| 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].
In vitro, Propargyl-PEG1-amine is used as a reagent in chemical synthesis rather than as a drug. It is employed to conjugate various molecules, such as drugs or probes, to target proteins or surfaces. Its activity is defined by its chemical reactivity rather than a biological effect. |
| ln Vivo |
In vivo, Propargyl-PEG1-amine is not used as a therapeutic agent. It may be used in the synthesis of drug conjugates, such as PROTACs, which have in vivo activity. However, the linker itself is not the active drug.
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| Enzyme Assay |
Cell-free assays for Propargyl-PEG1-amine are not relevant, as it is a chemical reagent rather than a drug. Its properties are characterized by its chemical purity and reactivity, which can be assessed using analytical techniques like NMR and HPLC.
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| Cell Assay |
In vitro cell-based assays are not typically performed for Propargyl-PEG1-amine itself. However, it can be used to synthesize compounds (e.g., PROTACs) that are then tested in cell-based assays. The linker's function is to connect two ligands in a PROTAC molecule.
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| Animal Protocol |
In vivo animal experiments are not performed for Propargyl-PEG1-amine itself. It is used as a building block to synthesize larger molecules, such as PROTACs, which are then tested in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) data for Propargyl-PEG1-amine is not available, as it is a chemical linker not intended for therapeutic use. Its properties, such as solubility, are determined by its chemical structure.
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| Toxicity/Toxicokinetics |
Toxicological data for Propargyl-PEG1-amine is not available in the public literature. As a research chemical, it should be handled with care. Its use is strictly for research purposes.
|
| References | |
| Additional Infomation |
Propargyl-PEG1-amine is a research-grade PEG linker used in click chemistry and PROTAC synthesis. It contains an alkyne group for CuAAc reactions and an amine for conjugation. It has not been approved for clinical use. All information is for research reference only.
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| Molecular Formula |
C5H9NO
|
|---|---|
| Molecular Weight |
99.1311
|
| Exact Mass |
99.068
|
| CAS # |
122116-12-5
|
| PubChem CID |
18356755
|
| Appearance |
Colorless to light yellow liquid
|
| Flash Point |
50 °C
|
| Index of Refraction |
1.45
|
| LogP |
0.295
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
7
|
| Complexity |
71.4
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C#C[H])C([H])([H])C([H])([H])N([H])[H]
|
| InChi Key |
MZFRRBQTCNHISM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2
|
| Chemical Name |
2-prop-2-ynoxyethanamine
|
| 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 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~1008.78 mM)
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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 | 10.0878 mL | 50.4388 mL | 100.8776 mL | |
| 5 mM | 2.0176 mL | 10.0878 mL | 20.1755 mL | |
| 10 mM | 1.0088 mL | 5.0439 mL | 10.0878 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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