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TAMRA-PEG4-methyltetrazine | 2163772-19-6
| Catalog Number | F07-0027 |
| Category | TAMRA |
| Molecular Formula | C₄₂H₄₅N₇O₈ |
| Molecular Weight | 775.85 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| F07-0027 | -- | $-- |
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Product Introduction
TAMRA-PEG4-methyltetrazine is a polyethylene glycol (PEG)-based PROTAC linker. TAMRA-PEG4-methyltetrazine can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | 2-(3,6-Bis(dimethylamino)xanthylium-9-yl)-5-((2-(2-(2-(2-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl)carbamoyl)benzoate; TAMRA Methyltetrazine |
| Purity | 775.9 |
| IUPAC Name | 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)C3=CC(=C(C=C3)C4=C5C=CC(=[N+](C)C)C=C5OC6=C4C=CC(=C6)N(C)C)C(=O)[O-] |
| InChI | InChI=1S/C42H45N7O8/c1-27-44-46-40(47-45-27)28-6-11-32(12-7-28)56-23-22-55-21-20-54-19-18-53-17-16-43-41(50)29-8-13-33(36(24-29)42(51)52)39-34-14-9-30(48(2)3)25-37(34)57-38-26-31(49(4)5)10-15-35(38)39/h6-15,24-26H,16-23H2,1-5H3,(H-,43,50,51,52) |
| InChI Key | SPHPUTOWAPVULR-UHFFFAOYSA-N |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 17 |
| Exact Mass | 775.33296142 g/mol |
| Monoisotopic Mass | 775.33296142 g/mol |
| Topological Polar Surface Area | 173Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1420 |
| 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 |
Applications of Fluorescent Probes & Dyes
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