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Methyltetrazine-PEG5-nhs ester | CAS 1802907-92-1
| Catalog Number | R08-0049 |
| Category | Tetrazines |
| Molecular Formula | C24H31N5O9 |
| Molecular Weight | 533.53 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0049 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG5-nhs ester is a linker widely used in antibody-drug conjugates (ADCs).
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Methyltetrazine-PEG5-NHS ester; 2,5-dioxopyrrolidin-1-yl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O |
| InChI | InChI=1S/C24H31N5O9/c1-18-25-27-24(28-26-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-23(32)38-29-21(30)6-7-22(29)31/h2-5H,6-17H2,1H3 |
| InChIKey | SWSUSQWZOPGVKP-UHFFFAOYSA-N |
| Solubility | Poorly soluble |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 19 |
| Exact Mass | 533.21217758 g/mol |
| Monoisotopic Mass | 533.21217758 g/mol |
| Topological Polar Surface Area | 161Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 699 |
| 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-2020123193-A1 | Charge-tagged nucleotides and methods of use thereof | 2018-02-16 |
| US-10851131-B2 | Charge-tagged nucleotides and methods of use thereof | 2018-02-16 |
| US-2021179657-A1 | Charge-tagged nucleotides and methods of use thereof | 2018-02-16 |
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