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BCN-exo-PEG8-NHS | CAS 1608140-48-2
| Catalog Number | R16-0022 |
| Category | BCN Reagents |
| Molecular Formula | C34H54N2O14 |
| Molecular Weight | 714.80 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BCN-exo-PEG8-NHS is a bioorthogonal PEG linker with a BCN group for strain-promoted cycloaddition and an NHS ester for amine coupling. The PEG8 spacer ensures solubility and flexibility, enabling copper-free click chemistry in antibody-drug conjugate development.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | endo-BCN-PEG8-NHS ester |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| InChI | InChI=1S/C34H54N2O14/c37-31-7-8-32(38)36(31)50-33(39)9-11-41-13-15-43-17-19-45-21-23-47-25-26-48-24-22-46-20-18-44-16-14-42-12-10-35-34(40)49-27-30-28-5-3-1-2-4-6-29(28)30/h28-30H,3-27H2,(H,35,40)/t28-,29+,30? |
| InChIKey | GQCGVDZQAWQNHI-BWMKXQIXSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 32 |
| Exact Mass | 714.35750440 g/mol |
| Monoisotopic Mass | 714.35750440 g/mol |
| Topological Polar Surface Area | 176Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1030 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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-2022409734-A1 | Antibody drug conjugates | 2019-05-10 |
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