
Methyltetrazine-DBCO | CAS 1802238-48-7
| Catalog Number | R08-0028 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C34H33N7O7S |
| Molecular Weight | 683.73 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-DBCO is a heterobifunctional ADC linker enabling fast, selective dual click chemistry reactions (IEDDA and SPAAC), enhancing conjugation efficiency in antibody-drug conjugate production.
Chemical Information
Product Specification
Application
Computed Properties
Patents
Chemical Information
| Synonyms | 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-1-[3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propylamino]-1-oxopropane-2-sulfonic acid; 2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-1-({3-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propyl}carbamoyl)ethane-1-sulfonic acid |
| Purity | >98.0% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCNC(=O)C(CNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)S(=O)(=O)O |
| InChI | InChI=1S/C34H33N7O7S/c1-23-37-39-33(40-38-23)26-13-15-28(16-14-26)48-20-6-19-35-34(44)30(49(45,46)47)21-36-31(42)17-18-32(43)41-22-27-9-3-2-7-24(27)11-12-25-8-4-5-10-29(25)41/h2-5,7-10,13-16,30H,6,17-22H2,1H3,(H,35,44)(H,36,42)(H,45,46,47) |
| InChIKey | YYYPWVPKWWTZRY-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
Product Specification
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
Application
Methyltetrazine-DBCO is a bifunctional click chemistry reagent that combines a methyltetrazine moiety with a DBCO (dibenzocyclooctyne) handle, enabling fast, highly selective bioorthogonal conjugation workflows. As a tetrazine-based click partner and a strained-alkyne component, it is structurally suited for modular assembly of labeled biomolecules, surfaces, and polymeric materials where controlled multistep labeling or sequential coupling is required. This reagent is commonly used in molecular imaging, chemical biology, and materials research to generate conjugates that incorporate orthogonal click handles for downstream probe installation and characterization.
1. Sequential Probe Labeling
Methyltetrazine-DBCO is used to support sequential labeling strategies in chemical biology workflows where two distinct click handles must be managed across multiple steps. Researchers employ this reagent to build intermediate conjugates that can be further functionalized with complementary click partners, allowing controlled timing of labeling for complex probe panels. The bifunctional architecture is particularly valuable when workflows require distributing reactive handles between biomolecules, linkers, or carriers before final installation of the desired imaging or affinity functionality.
2. Molecular Imaging Conjugates
Methyltetrazine-DBCO is widely applied in the preparation of imaging-relevant conjugates, including fluorescent and luminescent labeling schemes and other probe formats that benefit from bioorthogonal click chemistry. In molecular imaging reagent development, the reagent’s tetrazine/DBCO combination supports efficient assembly of probe constructs that can be integrated into imaging platforms used for target engagement studies, tracer characterization, and signal readout optimization. This makes it a practical choice for teams building modular imaging reagents where consistent conjugation chemistry and reliable probe-to-platform attachment are essential.
3. Biomaterials Surface Functionalization
Methyltetrazine-DBCO is used to functionalize biomaterial surfaces and polymeric scaffolds with defined reactive sites for subsequent attachment of biomolecular or targeting components. Materials scientists and biomaterials engineers incorporate the reagent into surface modification workflows to create conjugation-ready interfaces that can be patterned, coated, or otherwise engineered for downstream coupling. The presence of both tetrazine and DBCO functionalities supports flexible design of multicomponent material systems, including coatings and hydrogel-derived constructs used as chemical platforms for probe immobilization and assay development.
4. Diagnostic Reagent Development
Methyltetrazine-DBCO is applied in the development of diagnostic and analytical reagent formats that rely on robust, orthogonal conjugation chemistry to generate assay-ready labeling reagents. Diagnostic reagent developers use the reagent to assemble multicomponent constructs where controlled installation of detection moieties, affinity ligands, or capture elements is required for consistent assay performance in laboratory workflows. Its bifunctional nature helps streamline reagent build-outs by enabling staged conjugation designs that can be adapted to different detection chemistries and assay architectures.
Computed Properties
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 13 |
| Exact Mass | 683.21621759 g/mol |
| Monoisotopic Mass | 683.21621759 g/mol |
| Topological Polar Surface Area | 202Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022263944-A1 | Azido-containing monomers, polymers, and articles | 2021-06-16 |
| WO-2020061123-A1 | Systems and methods for dissecting heterogeneous cell populations | 2018-09-18 |
| US-2019276818-A1 | Sample multiplexing for single-cell rna sequencing | 2018-03-08 |
| WO-2019173638-A1 | Sample multiplexing for single-cell rna sequencing | 2018-03-08 |
| US-11492610-B2 | Sample multiplexing for single-cell RNA sequencing | 2018-03-08 |
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