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DBCO-PEG12-NHS ester | CAS 2093934-94-0
| Catalog Number | R01-0426 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C50H71N3O18 |
| Molecular Weight | 1002.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG12-NHS Ester is a monodisperse PEG linker which enable free copper click chemistry with N3 group. NHS ester moiety can react specifically and efficiently with primary amines to form a covalent amide bond. The hydrophilic PEG spacer arm improves water solubility and provides a long and flexible connection that minimizes steric hindrance involved with ligation.
Chemical Information
Product Specification
Computed Properties
Patents
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C50H71N3O18/c54-46(11-12-47(55)52-41-44-7-2-1-5-42(44)9-10-43-6-3-4-8-45(43)52)51-16-18-60-20-22-62-24-26-64-28-30-66-32-34-68-36-38-70-40-39-69-37-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-50(58)71-53-48(56)13-14-49(53)57/h1-8H,11-41H2,(H,51,54) |
| InChIKey | AFUFPIOHTWMNMM-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 44 |
| Exact Mass | 1001.47326242 g/mol |
| Monoisotopic Mass | 1001.47326242 g/mol |
| Topological Polar Surface Area | 224Ų |
| Heavy Atom Count | 71 |
| Formal Charge | 0 |
| Complexity | 1530 |
| 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 |
|---|---|---|
| US-2022096648-A1 | Antibody-drug conjugates comprising glp1 peptidomimetics and uses thereof | 2020-09-14 |
| US-2022096648-A1 | Antibody-drug conjugates comprising glp1 peptidomimetics and uses thereof | 2020-09-14 |
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