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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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