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Methyltetrazine-PEG12-DBCO | 2183440-28-8
| Catelog Number | R08-0029 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C52H70N6O14 |
| Molecular Weight | 1003.2 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0029 | -- | $-- |
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Product Introduction
Methyltetrazine-PEG12-DBCO is a TCO reactive reagent with a DBCO group and water-soluble PEG spacer. This reagent can be used to convert azido-containing peptides or proteins into tetrazine-modified peptides or protein without catalyst or axillary reagents. DBCO is commonly used for copper-free Click Chemistry reactions.
Chemical Information |
|
|---|---|
| Purity | 95% |
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C52H70N6O14/c1-43-54-56-52(57-55-43)46-12-14-48(15-13-46)72-41-40-71-39-38-70-37-36-69-35-34-68-33-32-67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-53-50(59)16-17-51(60)58-42-47-8-3-2-6-44(47)10-11-45-7-4-5-9-49(45)58/h2-9,12-15H,16-42H2,1H3,(H,53,59) |
| InChI Key | WAFZSKDTDFPQHS-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification |
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|---|---|
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 41 |
| Exact Mass | 1002.49500093 g/mol |
| Monoisotopic Mass | 1002.49500093 g/mol |
| Topological Polar Surface Area | 212Ų |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Complexity | 1450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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