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DBCO-PEG4-DBCO | CAS 2182601-68-7
| Catalog Number | R01-0377 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C48H50N4O8 |
| Molecular Weight | 810.93 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG4-DBCO is a dual-functional ADC linker with two DBCO moieties, designed for bioorthogonal SPAAC reactions. Its PEG4 spacer enhances solubility and flexibility, making it suitable for antibody or payload crosslinking in ADC synthesis and other targeted drug delivery platforms.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 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; N,N'-bis(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-4,7,10,13-tetraoxahexadecanediamide |
| Purity | >98.0% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC 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 |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | 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) |
| InChIKey | YCDMQCKYINAWGI-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 810.36286457 g/mol |
| Monoisotopic Mass | 810.36286457 g/mol |
| Topological Polar Surface Area | 136Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1420 |
| 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 |
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