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DBCO-PEG8-NHS ester | CAS 2553412-88-5
| Catalog Number | R01-0427 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C42H55N3O14 |
| Molecular Weight | 825.90 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG8-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG8-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | DBCO-PEG8-NHS ester; 2553412-88-5; SCHEMBL24802607; AKOS040743213; BP-24019; HY-140273; CS-0114781; G76868 |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[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]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C42H55N3O14/c46-38(11-12-39(47)44-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)44)43-16-18-52-20-22-54-24-26-56-28-30-58-32-31-57-29-27-55-25-23-53-21-19-51-17-15-42(50)59-45-40(48)13-14-41(45)49/h1-8H,11-33H2,(H,43,46) |
| InChIKey | OALUNVCTIRHONS-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO, DCM, DMF |
| Density | 1.29±0.1 g/cm3 (Predicted) |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 32 |
| Exact Mass | 825.36840344 g/mol |
| Monoisotopic Mass | 825.36840344 g/mol |
| Topological Polar Surface Area | 187?2 |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1320 |
| 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-2022409734-A1 | Antibody drug conjugates | 2019-05-10 |
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