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endo-BCN-PEG3-NH2 | 1883512-27-3
| Catalog Number | R16-0031 |
| Category | BCN Reagents |
| Molecular Formula | C₁₉H₃₂N₂O₅ |
| Molecular Weight | 368.47 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R16-0031 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG3-NH2 is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG3-NH2 can be used in the synthesis of a series of PROTACs.
- Chemical Information
- Product Specification
| Synonyms | BCN-PEG3-amine (endo) |
| Purity | >90% |
| IUPAC Name | [(1R,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCN)CCC#C1 |
| InChI | InChI=1S/C19H32N2O5/c20-7-9-23-11-13-25-14-12-24-10-8-21-19(22)26-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15,20H2,(H,21,22)/t16-,17-/m1/s1 |
| InChI Key | WICZFPOMYSGZNG-IAGOWNOFSA-N |
| Solubility | DCM, THF, acetonitrile, DMF and DMSO |
| Appearance | Oil |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 368.23112213 g/mol |
| Monoisotopic Mass | 368.23112213 g/mol |
| Topological Polar Surface Area | 92Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021221835-A1 | Carbon-monoxide-releasing molecules and therapeutic applications thereof | 2016-11-16 |
| US-2018133340-A1 | Antibody-drug conjugates | 2016-11-14 |
| US-2019328895-A1 | Antibody-drug conjugates | 2016-11-14 |
| US-2018100026-A1 | Optimized chimeric receptor t cell switches and uses thereof | 2015-04-15 |
| WO-2016168766-A1 | Optimized chimeric receptor t cell switches and uses thereof | 2015-04-15 |
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