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Methyltetrazine-PEG4-acid | CAS 1802907-91-0
| Catalog Number | R08-0057 |
| Category | Tetrazines |
| Molecular Formula | C₂₀H₂₈N₄O₇ |
| Molecular Weight | 436.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG4-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Methyltetrazine-PEG4-COOH; 1-(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oic acid; 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid; MeTz-PEG(4)-COOH |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C20H28N4O7/c1-16-21-23-20(24-22-16)17-2-4-18(5-3-17)31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-19(25)26/h2-5H,6-15H2,1H3,(H,25,26) |
| InChIKey | LMFGOJBYDNENPR-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 17 |
| Exact Mass | 436.19579924 g/mol |
| Monoisotopic Mass | 436.19579924 g/mol |
| Topological Polar Surface Area | 135Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 459 |
| 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 |
|---|---|---|
| WO-2022240599-A2 | Composite solid state electrolyte and lithium ion battery containing the same | 2021-05-03 |
| EP-3919091-A1 | Bioink for reversibly forming a hydrogel by light | 2020-06-05 |
| JP-2021523896-A | Injectable composition for use as a filler or drug transmitter through a click chemistry reaction | 2019-02-27 |
| JP-7177323-B2 | Injectable compositions for use as fillers or drug delivery vehicles through click chemistry reactions | 2019-02-27 |
| WO-2019216744-A2 | Injection formulation composition for use as filler or drug carrier through click chemistry reaction | 2018-05-08 |
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