| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Non-cleavable Linker
The compound does not have a specific biological target itself but serves as a chemical linker for bioconjugation. The NHS ester reacts with primary amines (-NH2) on proteins, antibodies, or other amine-containing molecules. The alkyne group enables click chemistry reactions with azide-functionalized molecules through copper-catalyzed azide-alkyne cycloaddition (CuAAc). This dual functionality enables the construction of multifunctional conjugates for ADC development and other bioconjugation applications. |
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| ln Vitro |
The in vitro activity of Propargyl-C1-NHS ester is assessed by its ability to participate in click chemistry reactions and conjugate to target molecules. The efficiency of alkyne-azide cycloaddition is evaluated by HPLC or LC-MS analysis of the conjugation products. The NHS ester reactivity with primary amines is assessed by reacting with amine-containing compounds and monitoring the formation of amide bonds by mass spectrometry or UV-Vis spectroscopy. The stability of the resulting conjugates in physiological conditions is also assessed.
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| ln Vivo |
In vivo studies for Propargyl-C1-NHS ester are typically conducted as part of complete ADC development, where the antibody-drug conjugate is evaluated rather than the linker alone. The linker's performance in vivo is assessed through pharmacokinetic studies of the ADC, evaluating its stability in circulation, tumor targeting efficiency, and therapeutic efficacy in xenograft models. The non-cleavable nature of this linker ensures that the drug remains attached to the antibody until the ADC is internalized and degraded in the target cell.
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| Enzyme Assay |
For NHS ester conjugation assays, Propargyl-C1-NHS ester is dissolved in anhydrous DMSO or DMF and added to a solution of amine-containing molecule in PBS buffer at pH 7.4-8.5. The reaction mixture is incubated at room temperature for 1-4 hours, and the extent of conjugation is monitored by MALDI-TOF mass spectrometry or SDS-PAGE. For click chemistry reactions, the alkyne-containing conjugate is reacted with azide-functionalized molecules in the presence of copper catalyst and reducing agent. The reaction progress is monitored by HPLC or LC-MS.
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| Cell Assay |
For protein labeling experiments, target proteins are dissolved in PBS buffer at pH 7.4. Propargyl-C1-NHS ester is dissolved in anhydrous DMSO or DMF and added to the protein solution at a molar ratio of 5-20:1 (linker:protein). The reaction is incubated at room temperature for 2-4 hours with gentle shaking. Excess linker is removed by dialysis or size-exclusion chromatography. The labeled protein is analyzed by SDS-PAGE, mass spectrometry, or UV-Vis spectroscopy to confirm successful conjugation.
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| Animal Protocol |
For ADC studies, target-positive cancer cell lines are cultured in appropriate media and treated with Propargyl-C1-NHS ester-containing ADC conjugates at various concentrations. Cell viability is assessed using MTT or CellTiter-Glo assays, and IC50 values are calculated. Cell binding is evaluated by flow cytometry using fluorescently labeled conjugates, and internalization is assessed using confocal microscopy or pH-sensitive dyes. The non-cleavable nature of the linker means drug release depends on ADC degradation in lysosomes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Propargyl-C1-NHS ester are typically characterized as part of the complete ADC. The compound has a molecular formula of C9H9NO4. It is a non-cleavable ADC linker used in the synthesis of ADCs. Detailed PK parameters such as half-life, clearance, and volume of distribution depend on the specific antibody and payload used in the conjugate. The compound is typically handled and stored according to manufacturer recommendations.
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| Toxicity/Toxicokinetics |
Propargyl-C1-NHS ester is a chemical reagent intended for research use only and is not approved for human therapeutic use. As a non-cleavable ADC linker and click chemistry reagent, it contains an alkyne group for CuAAc and an NHS ester for conjugation to primary amines. The compound is used in bioconjugation, antibody labeling, protein engineering, and targeted drug delivery systems. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
Propargyl-C1-NHS ester is a non-cleavable ADC linker and click chemistry reagent with molecular formula C9H9NO4. It contains an alkyne group for copper-catalyzed azide-alkyne cycloaddition with azide-bearing compounds and an NHS ester for conjugation to primary amines. The compound is used in bioconjugation, antibody labeling, protein engineering, and targeted drug delivery systems. It is for research use only and has not been approved for clinical applications.
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| Molecular Formula |
C9H9NO4
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|---|---|
| Molecular Weight |
195.17
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| Exact Mass |
195.053
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| CAS # |
132178-37-1
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| PubChem CID |
57339402
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| Appearance |
White to off-white solid powder
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| LogP |
-0.3
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
14
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| Complexity |
309
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C#CCCC(ON1C(CCC1=O)=O)=O
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| InChi Key |
VLQOCPXVAZTWQR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) pent-4-ynoate
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (512.37 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.81 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 (12.81 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (12.81 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 | 5.1237 mL | 25.6187 mL | 51.2374 mL | |
| 5 mM | 1.0247 mL | 5.1237 mL | 10.2475 mL | |
| 10 mM | 0.5124 mL | 2.5619 mL | 5.1237 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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