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endo-BCN-PEG4-NHS ester | CAS 2252422-32-3
| Catalog Number | R16-0023 |
| Category | BCN Reagents |
| Molecular Formula | C26H38N2O10 |
| Molecular Weight | 538.59 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG4-NHS ester is an NHS-activated ADC linker with bicyclo[6.1.0]non-4-yne (BCN) for strain-promoted click conjugation, enabling efficient and site-specific antibody modification for stable ADCs.
Chemical Information
Product Specification
Computed Properties
Patents
| Related CAS | 1807501-86-5 (Deleted) |
| Synonyms | 2,5-dioxopyrrolidin-1-yl1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13,16-pentaoxa-4-azanonadecan-19-oate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| InChI | InChI=1S/C26H38N2O10/c29-23-7-8-24(30)28(23)38-25(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-27-26(32)37-19-22-20-5-3-1-2-4-6-21(20)22/h20-22H,3-19H2,(H,27,32) |
| InChIKey | MFQCOKMBYCIQEJ-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 20 |
| Exact Mass | 538.25264541 g/mol |
| Monoisotopic Mass | 538.25264541 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 833 |
| 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 |
|---|---|---|
| WO-2019217591-A1 | Anti-msr1 antibodies and methods of use thereof | 2018-05-09 |
| US-11377502-B2 | Anti-MSR1 antibodies and methods of use thereof | 2018-05-09 |
| WO-2019136487-A2 | Steroids and antibody-conjugates thereof | 2018-01-08 |
| US-2018155389-A1 | Steroids and protein-conjugates thereof | 2016-11-08 |
| WO-2018089373-A2 | Steroids and protein-conjugates thereof | 2016-11-08 |
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