| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
This compound is a chemical linker rather than a drug with a specific biological target. It serves as a conjugation tool for attaching payloads to antibodies or other proteins via amine and thiol chemistry.
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|---|---|
| ln Vitro |
Thiol-bearing ligands can be coupled to amine-functionalized matrices using the heterobifunctional cross-linker maleimide-PEG-NHS ester [1].
Mal-PEG3-NHS ester does not possess intrinsic biological activity. Its utility is demonstrated through conjugation reactions: the NHS ester reacts with lysine amines on proteins at pH 7.2-8.5 to form amide bonds, while the maleimide reacts with cysteine thiols at pH 6.5-7.5 to form stable thioether bonds. The PEG3 spacer enhances solubility. |
| ln Vivo |
This compound is not designed for direct in vivo administration. Its in vivo relevance is demonstrated through the efficacy of ADCs or PROTACs synthesized using this linker. The hydrophilic PEG3 spacer increases aqueous solubility and reduces aggregation of conjugated proteins.
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| Enzyme Assay |
Conjugation efficiency is assessed by HPLC, LC-MS, or MALDI-TOF. NHS ester reactions are performed at pH 7.4 in PBS or HEPES buffer. Maleimide-thiol reactions are conducted at pH 6.5-7.5. The degree of conjugation is determined by UV-Vis or mass spectrometry. Hydrolysis of NHS ester is monitored by HPLC.
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| Cell Assay |
No cell-based assays are performed for the linker itself. Cell-based assays are conducted with the final ADC or PROTAC conjugate. These include cell viability assays on target cells, receptor binding assays, and target engagement studies.
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| Animal Protocol |
In vivo efficacy studies are performed with the final ADC or PROTAC conjugate in mouse xenograft models. Tumor-bearing mice are treated with the conjugate via intravenous administration. Tumor growth inhibition, body weight, and survival are monitored. Pharmacokinetic studies assess conjugate stability.
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| ADME/Pharmacokinetics |
Mal-PEG3-NHS ester has molecular weight approximately 400.4 and formula C17H24N2O8. It is soluble in DMSO, DMF, and acetonitrile. The PEG3 spacer provides moderate hydrophilicity. The NHS ester is moisture-sensitive and should be stored desiccated at -20°C. As a linker, it is not intended for standalone pharmacokinetic characterization.
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| Toxicity/Toxicokinetics |
As a chemical linker rather than a therapeutic agent, Mal-PEG3-NHS ester has no intrinsic toxicity. Toxicity is assessed at the level of the final ADC or PROTAC conjugate. The PEG moiety is biocompatible. Standard toxicological assessments are performed with the complete conjugate.
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| References | |
| Additional Infomation |
Mal-PEG3-NHS ester is a research-grade PEG linker used for bioconjugation applications including ADC and PROTAC synthesis. The NHS ester enables efficient conjugation to amine-containing molecules. No clinical trials or approved therapeutic applications exist for this linker as a standalone compound.
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| Molecular Formula |
C17H22N2O9
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|---|---|
| Molecular Weight |
398.364585399628
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| Exact Mass |
398.132
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| CAS # |
1537892-36-6
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| PubChem CID |
77078335
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
552.4±60.0 °C at 760 mmHg
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| Flash Point |
287.9±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.555
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| LogP |
-2.61
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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 |
28
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| Complexity |
613
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(CCOCCOCCC(=O)ON1C(CCC1=O)=O)CCN1C(C=CC1=O)=O
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| InChi Key |
IIXXEVQHRSMNOB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)6-8-26-10-12-27-11-9-25-7-5-17(24)28-19-15(22)3-4-16(19)23/h1-2H,3-12H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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 (~251.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.28 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 (6.28 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5103 mL | 12.5515 mL | 25.1029 mL | |
| 5 mM | 0.5021 mL | 2.5103 mL | 5.0206 mL | |
| 10 mM | 0.2510 mL | 1.2551 mL | 2.5103 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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