| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
Purity: ≥98%
| Targets |
Target: Azido-PEG3-NHS ester functions as an ADC linker and PEG-based linker for PROTACs. It is used to synthesize antibody-drug conjugates and PROTAC molecules. The PEG linker confers solubility and diminishes immunogenicity. The compound is not a pharmacological agent itself but a chemical tool for bioconjugation.
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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 Activity: Azido-PEG3-NHS ester is a click chemistry reagent that undergoes copper-catalyzed azide-alkyne cycloaddition (CuAAc) with alkyne-containing molecules. It is used for bioconjugation and surface modification. The NHS ester reacts with primary amines to form stable amide bonds. The PEG spacer increases solubility in aqueous media. |
| ln Vivo |
In Vivo Activity: Azido-PEG3-NHS ester is used in drug delivery systems, surface modification of biomaterials, and bioconjugation applications. It facilitates selective protein degradation via the ubiquitin-proteasome system in PROTAC applications. The compound is a chemical linker and is not evaluated for direct in vivo activity.
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| Enzyme Assay |
In Vitro Enzyme/Receptor Binding Protocol: Click chemistry reactions are performed with alkyne-containing molecules in the presence of copper catalyst. NHS ester labeling reactions are performed with amine-containing proteins or molecules at appropriate pH (typically pH 7-9). Reaction completion is monitored by HPLC, mass spectrometry, or TLC.
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| Cell Assay |
In Vitro Cell-Based Assay Protocol: Proteins or other amine-containing molecules are incubated with Azido-PEG3-NHS ester at appropriate pH and temperature. Labeling efficiency is assessed by mass spectrometry, SDS-PAGE, or other analytical methods. Click chemistry with alkyne-modified molecules can also be performed. The compound is a chemical tool and is not used in typical cell-based pharmacological assays.
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| Animal Protocol |
In Vivo Animal Assay Protocol: Animal studies for ADC or PROTAC efficacy use appropriate tumor models. Azido-PEG3-NHS ester-containing conjugates are administered via appropriate routes. Efficacy and pharmacokinetics are assessed as part of the final conjugate evaluation. The linker itself is not administered as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetics: Azido-PEG3-NHS ester has molecular formula C13H20N4O7 and molecular weight 344.3. It has CAS number 1245718-89-1. The hydrophilic PEG spacer increases solubility in aqueous media. Detailed pharmacokinetic properties of the linker itself are not typically characterized as it is used in conjugate synthesis.
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| Toxicity/Toxicokinetics |
Toxicity: No detailed toxicity data are publicly available for Azido-PEG3-NHS ester. As a linker molecule used in ADC and PROTAC synthesis, its toxicity is typically evaluated as part of the final conjugate. The compound is for research use only and is not intended for human therapeutic use.
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| References |
: Sano K, Nakajima T, Miyazaki K, Ohuchi Y, Ikegami T, Choyke PL, Kobayashi H. Short PEG-linkers improve the performance of targeted, activatable monoclonal antibody-indocyanine green optical imaging probes. Bioconjug Chem. 2013 May 15;24(5):811-6.
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| Additional Infomation |
Additional Information: Azido-PEG3-NHS ester has CAS number 1245718-89-1. It is also known as N3-PEG3-C2-NHS ester. The compound is a non-cleavable ADC linker and PEG-based linker for PROTACs. It contains an azide group and an NHS ester. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group enables copper-catalyzed azide-alkyne cycloaddition (CuAAc) with alkyne-containing molecules. For research use only, not for human therapy.
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| Molecular Formula |
C13H20N4O7
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|---|---|
| Molecular Weight |
344.3205
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| Exact Mass |
344.133
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| CAS # |
1245718-89-1
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| Related CAS # |
1245718-89-1;
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| PubChem CID |
77078451
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| Appearance |
Colorless to light yellow liquid
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| LogP |
-2.23
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
24
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| Complexity |
463
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N=[N+]=[N-])=O)N1C(C([H])([H])C([H])([H])C1=O)=O
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| InChi Key |
BNLXVOZUEBSSRI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H20N4O7/c14-16-15-4-6-22-8-10-23-9-7-21-5-3-13(20)24-17-11(18)1-2-12(17)19/h1-10H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoate
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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 |
| 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) |
DMSO : ~100 mg/mL (~290.43 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 | 2.9043 mL | 14.5214 mL | 29.0428 mL | |
| 5 mM | 0.5809 mL | 2.9043 mL | 5.8086 mL | |
| 10 mM | 0.2904 mL | 1.4521 mL | 2.9043 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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