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Methyltetrazine-amido-PEG5-alkyne | CAS 2322322-23-4
| Catalog Number | R08-0034 |
| Category | Tetrazines |
| Molecular Formula | C₂₄H₃₃N₅O₆ |
| Molecular Weight | 487.55 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-amido-PEG5-alkyne is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-amido-PEG5-alkyne can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Methyltetrazine-amido-PEG5-alkyne; N-(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzyl)-4,7,10,13,16-pentaoxanonadec-18-ynamide; N-{[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}-4,7,10,13,16-pentaoxanonadec-18-ynamide |
| Purity | 98% |
| IUPAC Name | N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]-3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C24H33N5O6/c1-3-9-31-11-13-33-15-17-35-18-16-34-14-12-32-10-8-23(30)25-19-21-4-6-22(7-5-21)24-28-26-20(2)27-29-24/h1,4-7H,8-19H2,2H3,(H,25,30) |
| InChIKey | OHZFOEAHYKQSRL-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 19 |
| Exact Mass | 487.24308379 g/mol |
| Monoisotopic Mass | 487.24308379 g/mol |
| Topological Polar Surface Area | 127Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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-2016120987-A1 | Chemical structures for localized delivery of therapeutic agents | 2013-06-19 |
| US-2019111140-A1 | Chemical structures for localized delivery of therapeutic agents | 2013-06-19 |
| US-10953098-B2 | Chemical structures for localized delivery of therapeutic agents | 2013-06-19 |
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