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DBCO-PEG2-NHS ester | CAS 2585653-12-7
| Catalog Number | R01-0431 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C30H31N3O8 |
| Molecular Weight | 561.59 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG2-NHS ester is a bioorthogonal ADC linker combining DBCO reactive group with PEG2 spacer and NHS ester. It enables efficient site-specific payload conjugation via SPAAC click chemistry, enhancing antibody-drug conjugate stability and efficacy.
Chemical Information
Product Specification
Computed Properties
Patents
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[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]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C30H31N3O8/c34-26(31-16-18-40-20-19-39-17-15-30(38)41-33-28(36)13-14-29(33)37)11-12-27(35)32-21-24-7-2-1-5-22(24)9-10-23-6-3-4-8-25(23)32/h1-8H,11-21H2,(H,31,34) |
| InChIKey | WEMCNVHTFXFLHG-UHFFFAOYSA-N |
| Appearance | Yellow to brown Oil |
| Storage | -20 °C |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 561.21111496 g/mol |
| Monoisotopic Mass | 561.21111496 g/mol |
| Topological Polar Surface Area | 132?2 |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1020 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021016525-A1 | Methods for tagging and encoding of pre-existing compound libraries | 2019-07-25 |
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