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| Targets |
Non-cleavable Linker
DBCO-PEG3-oxyamine contains a DBCO moiety that enables rapid strain-promoted alkyne-azide cycloaddition (SPAAC) under copper-free, physiological conditions, while the oxyamine group facilitates chemoselective oxime ligation with aldehydes and ketones. This dual functionality enables orthogonal conjugation strategies. |
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| ln Vitro |
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker[1].
In vitro, DBCO-PEG3-oxyamine is used for the selective conjugation of biomolecules. The DBCO group reacts with azide-containing molecules via SPAAC, while the oxyamine group reacts with aldehydes or ketones to form stable oxime linkages. This dual reactivity allows for the creation of complex bioconjugates for various research applications including probe design and ADC development. |
| ln Vivo |
In vivo activity data for DBCO-PEG3-oxyamine are primarily related to its use in ADC development. The compound itself is not typically evaluated for therapeutic activity but rather for its ability to facilitate stable bioconjugation. The non-cleavable nature of the linker provides stability in circulation.
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| Enzyme Assay |
For non-cellular in vitro assays, DBCO-PEG3-oxyamine is evaluated for its click chemistry reactivity and oxime ligation efficiency. The compound is incubated with azide-functionalized molecules or aldehyde/ketone-containing molecules under physiological conditions. Reaction efficiency is monitored by HPLC, mass spectrometry, or fluorescence detection.
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| Cell Assay |
For in vitro cellular assays, DBCO-PEG3-oxyamine is used to label cell surface proteins or other biomolecules that have been modified with azide groups or aldehyde/ketone functionalities. Cells are incubated with the compound, and successful conjugation is detected using appropriate readouts such as fluorescence microscopy or flow cytometry.
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| Animal Protocol |
In vivo animal studies for DBCO-PEG3-oxyamine are typically conducted in the context of ADC efficacy. The compound or its ADC conjugate is administered to animal models, and biodistribution, target engagement, and therapeutic efficacy are assessed. The non-cleavable nature of the linker provides stability in circulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for DBCO-PEG3-oxyamine are primarily relevant in ADC development. The PEG3 spacer enhances solubility, flexibility, and reduces steric hindrance. The non-cleavable linker provides stability in circulation, potentially extending the half-life of the ADC conjugate.
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| Toxicity/Toxicokinetics |
DBCO-PEG3-oxyamine is generally considered to have low toxicity as a linker molecule. In ADC applications, the toxicity profile is determined by the overall ADC construct. The compound itself has a molecular weight of 552.62 g/mol and a molecular formula of C₂₉H₃₆N₄O₇.
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| References | |
| Additional Infomation |
DBCO-PEG3-oxyamine is a non-cleavable ADC linker containing three PEG units, used for the synthesis of antibody-coupled reactive molecules (ADCs). It is a click chemistry reagent containing a DBCO group that undergoes strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing azide groups. The oxyamine group reacts efficiently with aldehydes and ketones to form stable oxime linkages.
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| Molecular Formula |
C29H36N4O7
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|---|---|
| Molecular Weight |
552.618747711182
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| Exact Mass |
552.258
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| CAS # |
2748394-67-2
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| PubChem CID |
146026146
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| Appearance |
Light yellow to yellow ointment
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| LogP |
0.1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
17
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| Heavy Atom Count |
40
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| Complexity |
858
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(CCC(NCCOCCOCCOCCNC(CON)=O)=O)N1C2C=CC=CC=2C#CC2C=CC=CC=2C1
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| InChi Key |
JRBITMATWRXIQO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H36N4O7/c30-40-22-28(35)32-14-16-38-18-20-39-19-17-37-15-13-31-27(34)11-12-29(36)33-21-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)33/h1-8H,11-22,30H2,(H,31,34)(H,32,35)
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| Chemical Name |
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8096 mL | 9.0478 mL | 18.0956 mL | |
| 5 mM | 0.3619 mL | 1.8096 mL | 3.6191 mL | |
| 10 mM | 0.1810 mL | 0.9048 mL | 1.8096 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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