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DBCO-NHCO-PEG4-NH-Boc | CAS 1255942-12-1
| Catalog Number | R01-0350 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C34H45N3O8 |
| Molecular Weight | 623.74 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-NHCO-PEG4-NH-Boc is a protected amine-containing ADC linker enabling future payload conjugation via SPAAC. Its PEG4 spacer enhances solubility, while the Boc-protected amine allows orthogonal synthetic strategies in ADC and bioconjugate design.
Chemical Information
Product Specification
Computed Properties
| Synonyms | tert-butyl N-[2-[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]ethyl]carbamate; DBCO-NH-PEG4-NH-Boc; tert-butyl N-{14-[(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamate |
| Purity | 98.0% |
| Shelf Life | -20°C 3 years powder; -80°C 2 years in solvent |
| IUPAC Name | |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C34H45N3O8/c1-34(2,3)45-33(40)36-17-19-42-21-23-44-25-24-43-22-20-41-18-15-31(38)35-16-14-32(39)37-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)37/h4-11H,14-26H2,1-3H3,(H,35,38)(H,36,40) |
| InChIKey | YUOUOEOEOWCRQI-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20°C |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 20 |
| Exact Mass | 623.32066540 g/mol |
| Monoisotopic Mass | 623.32066540 g/mol |
| Topological Polar Surface Area | 125Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 972 |
| 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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