| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
DBCO-C3-Acid does not have a specific biological target itself but serves as a click chemistry reagent for bioorthogonal conjugation. The DBCO group reacts selectively with azide-functionalized molecules through strain-promoted alkyne-azide cycloaddition (SPAAC), a copper-free click chemistry reaction. This enables the attachment of DBCO-containing molecules to azide-labeled biomolecules such as proteins, peptides, nucleic acids, and carbohydrates. The terminal carboxylic acid group provides a handle for further functionalization or conjugation to amines through amide bond formation.
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| ln Vitro |
In vitro activity of DBCO-C3-Acid is assessed by its ability to participate in click chemistry reactions with azide-functionalized molecules. The efficiency of the SPAAC reaction is evaluated by HPLC or LC-MS analysis of the conjugation products. Reaction kinetics are typically monitored by UV-Vis spectroscopy or fluorescence, as the DBCO group has characteristic absorbance. The compound's ability to form stable conjugates with proteins or other biomolecules is assessed by SDS-PAGE, mass spectrometry, or fluorescence labeling studies. Reaction selectivity and biocompatibility are also evaluated in the presence of cells or biological matrices.
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| ln Vivo |
In vivo studies for DBCO-C3-Acid are typically conducted on the complete conjugates formed using this click chemistry reagent rather than the compound itself. These conjugates are evaluated in animal models for their pharmacokinetic properties, biodistribution, and therapeutic efficacy in applications such as ADC therapy or targeted drug delivery. The copper-free nature of the SPAAC reaction makes it suitable for in vivo applications where copper toxicity would be a concern.
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| Enzyme Assay |
For click chemistry conjugation, DBCO-C3-Acid is dissolved in DMSO or DMF and added to a solution of azide-functionalized molecule in PBS or other suitable buffer. The reaction is incubated at room temperature for 2-24 hours, and the extent of conjugation is monitored by HPLC or LC-MS. For protein labeling, the reaction is typically conducted at pH 7.4 and 4°C or room temperature for 2-4 hours. Excess reagent is removed by dialysis or size-exclusion chromatography. The labeled protein is characterized by SDS-PAGE, mass spectrometry, and UV-Vis spectroscopy to confirm successful conjugation.
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| Cell Assay |
For cellular labeling studies, cells are first labeled with azide-containing probes (e.g., azido-sugars for metabolic labeling of glycans). Cells are then treated with DBCO-C3-Acid or its conjugates (e.g., fluorescent DBCO derivatives) and incubated at 37°C for 1-4 hours. Labeling efficiency is assessed by flow cytometry or fluorescence microscopy. For ADC applications, target-positive cancer cell lines are treated with DBCO-C3-Acid-containing ADCs at various concentrations for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays, and IC50 values are calculated.
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| Animal Protocol |
For in vivo imaging or therapeutic studies, mice bearing tumors or other targets are administered DBCO-C3-Acid conjugates (e.g., fluorescent or drug conjugates) via intravenous injection. For imaging studies, fluorescence or radioactivity is monitored over time using appropriate imaging systems. For therapeutic studies, tumor volume is measured twice weekly using calipers, and body weight is monitored for toxicity. Biodistribution is assessed by ex vivo analysis of organs and tissues at study termination. The copper-free click chemistry enables in vivo labeling without toxicity concerns.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of DBCO-C3-Acid are characterized for the complete conjugates rather than the click reagent itself. The compound has a molecular weight of 319.35 and is a small molecule with good solubility in organic solvents. The DBCO group provides stability in biological environments while maintaining reactivity with azides. The compound is typically stored at -20°C to maintain stability. Detailed PK parameters depend on the specific conjugate and application.
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| Toxicity/Toxicokinetics |
DBCO-C3-Acid is a chemical reagent intended for research use only and is not approved for human therapeutic use. As a click chemistry intermediate, it is used in the synthesis of ADC linkers and bioconjugates for various research applications. The compound enables copper-free bioorthogonal labeling and conjugation. Standard laboratory safety precautions should be followed when handling this compound. Storage at -20°C is recommended.
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| References | |
| Additional Infomation |
DBCO-C3-Acid is a click chemistry intermediate for ADC linker synthesis, with molecular formula C20H17NO3 and molecular weight 319.35. The DBCO group reacts with azides through strain-promoted alkyne-azide cycloaddition (SPAAC) without copper catalysts. The carboxylic acid group enables further conjugation to amines. The compound is used in protein labeling, drug delivery, and bioconjugation applications. It is for research use only and has not been approved for clinical applications. Storage at -20°C is recommended.
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| Molecular Formula |
C20H17NO3
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|---|---|
| Molecular Weight |
319.35
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| Exact Mass |
319.12
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| CAS # |
1207355-31-4
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| PubChem CID |
85470609
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| Appearance |
Off-white to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
635.5±55.0 °C at 760 mmHg
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| Flash Point |
338.2±31.5 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.666
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| LogP |
4.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
544
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(CCCC(=O)O)N1C2C=CC=CC=2C#CC2C=CC=CC=2C1
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| InChi Key |
KDYPHAQTQRXDCD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H17NO3/c22-19(10-5-11-20(23)24)21-14-17-8-2-1-6-15(17)12-13-16-7-3-4-9-18(16)21/h1-4,6-9H,5,10-11,14H2,(H,23,24)
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| Chemical Name |
5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoic acid
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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 (313.14 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.83 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 (7.83 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1314 mL | 15.6568 mL | 31.3136 mL | |
| 5 mM | 0.6263 mL | 3.1314 mL | 6.2627 mL | |
| 10 mM | 0.3131 mL | 1.5657 mL | 3.1314 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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