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| Other Sizes |
| Targets |
Disulfide Cleavable Linker Cleavable Linker
PDEC-NB does not have a specific biological target itself but serves as a chemical linker for bioconjugation in ADCs. The disulfide bond in PDEC-NB is designed to be selectively cleaved in the reducing environment of the intracellular space, such as within tumor cells, which have higher glutathione levels. This enables the targeted release of the cytotoxic payload specifically at the site of action. As a cleavable linker, it facilitates the synthesis of ADCs for cancer research. |
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| ln Vitro |
The in vitro activity of PDEC-NB is assessed by its ability to form stable conjugates with antibodies and its selective cleavage in reducing environments. The efficiency of conjugation to antibodies is evaluated by SDS-PAGE, mass spectrometry, and HPLC. The cleavable nature of the disulfide bond is confirmed by incubation with reducing agents such as glutathione or DTT, followed by analysis of conjugate stability and drug release by HPLC or LC-MS.
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| ln Vivo |
In vivo studies for PDEC-NB 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 cleavable nature of the disulfide bond is designed to enable drug release specifically within the tumor microenvironment.
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| Enzyme Assay |
For conjugation assays, PDEC-NB is dissolved in anhydrous DMSO or DMF and added to a solution of antibody in PBS buffer. The reaction is incubated at room temperature, and the extent of conjugation is monitored by SDS-PAGE or MALDI-TOF mass spectrometry. For cleavage studies, the conjugate is incubated with various concentrations of glutathione or DTT, and the release of payload is analyzed by HPLC or LC-MS. The stability of the conjugate in plasma is also assessed.
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| Cell Assay |
For cellular studies, target-positive cancer cell lines are cultured in appropriate media and treated with PDEC-NB-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. The cleavable nature of the linker is confirmed by the selective activity in target-positive cells.
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| Animal Protocol |
For in vivo efficacy studies, immunodeficient mice bearing target-positive tumor xenografts are administered the complete ADC (containing PDEC-NB as the linker) via intravenous injection. Dosing typically involves multiple injections at 1-2 week intervals. Tumor volume is measured twice weekly using calipers, and body weight is monitored for toxicity assessment. At study termination, tumors and major organs are collected for histopathological analysis and drug concentration measurement.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PDEC-NB are characterized as part of the complete ADC. The compound has a molecular weight of 352.39 and a purity of 95%. It is a solid and should be stored under recommended conditions to maintain stability. Detailed PK parameters such as half-life, clearance, and volume of distribution depend on the specific antibody and payload used in the conjugate.
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| Toxicity/Toxicokinetics |
The toxicity profile of PDEC-NB is not explicitly detailed in the provided sources. As a chemical reagent used in ADC development, standard laboratory safety precautions should be followed when handling it. It is intended for research use only and is not for human therapeutic applications. The compound's safety would be evaluated in the context of the complete ADC rather than the linker alone.
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| References | |
| Additional Infomation |
PDEC-NB is a disulfide cleavable cross-linker for ADCs with a molecular formula of C14H12N2O5S2 and a molecular weight of 352.39. It is used to enable the selective delivery of cytotoxic agents to tumor cells by forming stable conjugates that release their payload in the reducing intracellular environment. This research compound is for laboratory use only and has not been approved for clinical applications.
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| Molecular Formula |
C14H12N2O5S2
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|---|---|
| Molecular Weight |
352.385480880737
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| Exact Mass |
352.018
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| CAS # |
874302-76-8
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| PubChem CID |
11638899
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
23
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| Complexity |
386
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(OCCSSC1C=CC=CN=1)OC1C=CC([N+](=O)[O-])=CC=1
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| InChi Key |
JHDROZPIXZYTMZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H12N2O5S2/c17-14(21-12-6-4-11(5-7-12)16(18)19)20-9-10-22-23-13-3-1-2-8-15-13/h1-8H,9-10H2
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| Chemical Name |
(4-nitrophenyl) 2-(pyridin-2-yldisulfanyl)ethyl carbonate
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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 (283.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.09 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (7.09 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 (7.09 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 | 2.8378 mL | 14.1888 mL | 28.3776 mL | |
| 5 mM | 0.5676 mL | 2.8378 mL | 5.6755 mL | |
| 10 mM | 0.2838 mL | 1.4189 mL | 2.8378 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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