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DBCO-PEG5-NHS ester | CAS 2144395-59-3
| Catalog Number | R01-0429 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C36H43N3O11 |
| Molecular Weight | 693.74 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG5-NHS ester is a bifunctional ADC linker combining a DBCO group for copper-free click chemistry and an NHS ester for amine-reactive conjugation. Ideal for antibody-drug conjugates, it enables site-specific bioconjugation, improves hydrophilicity, and ensures stable payload attachment under physiological conditions.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 4,7,10,13,16-Pentaoxa-19-azatricosanoic acid, 23-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-20,23-dioxo-, 2,5-dioxo-1-pyrrolidinyl ester |
| Purity | >98.0% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C36H43N3O11/c40-32(11-12-33(41)38-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)38)37-16-18-46-20-22-48-24-26-49-25-23-47-21-19-45-17-15-36(44)50-39-34(42)13-14-35(39)43/h1-8H,11-27H2,(H,37,40) |
| InChIKey | OYNJSALGAVUYGZ-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| Storage | Store at -5°C,keep in dry and avoid sunlight. |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 23 |
| Exact Mass | 693.28975920 g/mol |
| Monoisotopic Mass | 693.28975920 g/mol |
| Topological Polar Surface Area | 159Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1170 |
| 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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