| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
This compound does not target a biological receptor; it is a chemical crosslinker. The two DBCO groups react with azide groups on biomolecules, allowing the creation of bis-azide conjugates or intramolecular cyclization. The PEG4 spacer provides flexibility and water solubility. It is used in the synthesis of multivalent probes, hydrogels, and protein crosslinking.
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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.
In vitro, DBCO-PEG4-DBCO is used to crosslink azide-modified proteins, peptides, or polymers. The reaction is fast and orthogonal to other functional groups. It can be used to create bispecific antibodies or to stabilize protein complexes. No pharmacological activity is associated with the compound itself. |
| ln Vivo |
No in vivo activity is attributed to DBCO-PEG4-DBCO alone. It is a reagent and not a therapeutic.
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| Enzyme Assay |
No cell-free receptor binding assays are performed. The reactivity is assessed by reacting with a mono-azide or bis-azide compound and analyzing the product by mass spectrometry or gel electrophoresis.
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| Cell Assay |
Cell-based assays involve adding the compound to cells that have been metabolically labeled with azide-sugars or transfected with azide-tagged proteins. Crosslinking efficiency is analyzed by SDS-PAGE and western blot. Cytotoxicity is typically low at concentrations up to 50 µM.
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| Animal Protocol |
In vivo experiments are not conducted with the free crosslinker. However, it could be used to crosslink azide-modified antibodies in a pretargeting approach, but such applications are rare. No standard animal protocols exist.
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| ADME/Pharmacokinetics |
Pharmacokinetics are not studied as the compound is a reactive reagent. It should be stored at -20°C and protected from moisture. The PEG4 linker enhances solubility in aqueous buffers.
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| Toxicity/Toxicokinetics |
Toxicity data is not available. As a DBCO derivative, it may cause skin sensitization. It is for research use only and should be handled with care.
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| References | |
| Additional Infomation |
DBCO-PEG4-DBCO is a bis-DBCO crosslinker with molecular formula C46H48N4O6 and molecular weight 752.90. It is a white to off-white solid. It is used for advanced bioconjugation and materials science. Available for research purposes only.
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| Molecular Formula |
C48H50N4O8
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|---|---|
| Molecular Weight |
810.932612895966
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| Exact Mass |
810.362
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| CAS # |
2182601-68-7
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| PubChem CID |
129627656
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| Appearance |
White to yellow solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
60
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| Complexity |
1420
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(CCNC(CCOCCOCCOCCOCCC(NCCC(N1C2C=CC=CC=2C#CC2C=CC=CC=2C1)=O)=O)=O)N1C2C=CC=CC=2C#CC2C=CC=CC=2C1
|
| InChi Key |
YCDMQCKYINAWGI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C48H50N4O8/c53-45(49-25-21-47(55)51-35-41-13-3-1-9-37(41)17-19-39-11-5-7-15-43(39)51)23-27-57-29-31-59-33-34-60-32-30-58-28-24-46(54)50-26-22-48(56)52-36-42-14-4-2-10-38(42)18-20-40-12-6-8-16-44(40)52/h1-16H,21-36H2,(H,49,53)(H,50,54)
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| Chemical Name |
N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide
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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 (~123.32 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.08 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 (3.08 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 (3.08 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 | 1.2332 mL | 6.1658 mL | 12.3315 mL | |
| 5 mM | 0.2466 mL | 1.2332 mL | 2.4663 mL | |
| 10 mM | 0.1233 mL | 0.6166 mL | 1.2332 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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