| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
Bis-PEG13-NHS ester is not a drug itself but a chemical linker used in the synthesis of therapeutic agents. As a PROTAC linker, it connects an E3 ubiquitin ligase ligand to a target protein ligand, enabling the targeted degradation of specific proteins. As an ADC linker, it conjugates antibodies to active drug molecules, enabling the targeted delivery of cytotoxic agents to cancer cells. The compound contains two NHS ester groups that react with primary amines to form stable amide bonds. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties of the final conjugate. The compound's role as a linker is critical for the function of PROTACs and ADCs, as it determines the stability, solubility, and pharmacokinetic properties of the final molecule.
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| 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.
Bis-PEG13-NHS ester does not have intrinsic in vitro activity as it is not a drug. Its activity is dependent on the final PROTAC or ADC molecule synthesized using this linker. In the context of PROTACs, the linker connects the E3 ligase ligand and the target protein ligand, enabling the formation of a ternary complex that leads to ubiquitination and degradation of the target protein. In the context of ADCs, the linker connects the antibody to the cytotoxic drug, enabling targeted delivery to cancer cells. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties of the final conjugate. |
| ln Vivo |
Bis-PEG13-NHS ester does not have intrinsic in vivo activity as it is not a drug. In vivo activity depends on the final PROTAC or ADC molecule synthesized using this linker. The linker's properties, such as stability, solubility, and pharmacokinetics, can influence the in vivo activity of the final conjugate. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties of the final conjugate.
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| Enzyme Assay |
Bis-PEG13-NHS ester is not a drug and does not have enzyme/receptor binding activity. It is a chemical crosslinker used in bioconjugation. Characterization includes NMR and HPLC analysis to confirm structure and purity. The compound's reactivity with primary amines is the basis for its use in bioconjugation.
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| Cell Assay |
Bis-PEG13-NHS ester is used in in vitro bioconjugation reactions. The compound is incubated with amine-containing molecules (e.g., proteins, peptides, or small molecules) in appropriate buffer (pH 7-9). Conjugation efficiency is assessed by SDS-PAGE, mass spectrometry, or HPLC. The compound's reactivity with primary amines allows for the formation of stable amide bonds. These in vitro reactions are essential for the synthesis of PROTACs and ADCs.
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| Animal Protocol |
Bis-PEG13-NHS ester is used in the synthesis of ADCs and PROTACs, which are then evaluated in animal models. In vivo efficacy depends on the therapeutic agent synthesized using this linker, not the linker itself. The linker's properties can influence the pharmacokinetics and efficacy of the final conjugate. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties of the final conjugate.
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| ADME/Pharmacokinetics |
As a chemical linker, Bis-PEG13-NHS ester does not have intrinsic pharmacokinetic properties. The PK of the final ADC or PROTAC molecule depends on the overall molecular structure. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties.
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| Toxicity/Toxicokinetics |
Bis-PEG13-NHS ester is a chemical reagent for research use only. Toxicity depends on the final conjugated molecule. Standard safety precautions for handling NHS esters apply, including avoidance of moisture and use of appropriate personal protective equipment. The compound should be stored according to the manufacturer's recommendations, typically at -20°C, to ensure stability.
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| References | |
| Additional Infomation |
Bis-PEG13-NHS ester (CAS 2221949-00-2) is a research-grade chemical linker. It is a PEG/Alkyl/ether-based PROTAC linker and a cleavable ADC linker. The compound contains two NHS ester groups that react with primary amines to form stable amide bonds. It is used in the synthesis of PROTACs and ADCs. The PEG13 chain provides hydrophilicity and may improve solubility and pharmacokinetic properties of the final conjugate. The compound is not a drug and has no clinical approval. It is intended for research purposes only. When handling Bis-PEG13-NHS ester, researchers should follow standard safety protocols for handling chemical reagents, including the use of appropriate personal protective equipment and working in a well-ventilated area.
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| Molecular Formula |
C38H64N2O21
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|---|---|
| Molecular Weight |
884.92
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| Exact Mass |
708.295
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| CAS # |
2221949-00-2
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| PubChem CID |
77078480
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| Appearance |
Colorless to light yellow viscous liquid
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
17
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| Rotatable Bond Count |
34
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| Heavy Atom Count |
49
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| Complexity |
890
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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])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)ON1C(C([H])([H])C([H])([H])C1=O)=O)=O)N1C(C([H])([H])C([H])([H])C1=O)=O
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| InChi Key |
OVDFFVRBNAHLOH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C38H64N2O21/c41-33-1-2-34(42)39(33)60-37(45)5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-48-8-6-38(46)61-40-35(43)3-4-36(40)44/h1-32H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (~141.10 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.53 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (3.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1300 mL | 5.6502 mL | 11.3005 mL | |
| 5 mM | 0.2260 mL | 1.1300 mL | 2.2601 mL | |
| 10 mM | 0.1130 mL | 0.5650 mL | 1.1300 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
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