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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 |