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N-(Azido-PEG3)-N-Biotin-PEG4-methyl ester | 2100306-76-9
| Catalog Number | R14-0078 |
| Category | Azides |
| Molecular Formula | C₃₀H₅₄N₆O₁₁S |
| Molecular Weight | 706.85 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0078 | -- | $-- |
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Product Introduction
N-(Azido-PEG3)-N-Biotin-PEG4-methyl ester is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Biotin-PEG4-methyl ester can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | methyl 1-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)pentanamido}-3,6,9,12-tetraoxapentadecan-15-oate; methyl 1-azido-12-(5-((3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)-3,6,9,15,18,21,24-heptaoxa-12-azaheptacosan-27-oate |
| Purity | 98% |
| IUPAC Name | methyl 3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | COC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C30H54N6O11S/c1-40-28(38)6-10-41-14-18-45-22-23-47-21-17-44-13-9-36(8-12-43-16-20-46-19-15-42-11-7-32-35-31)27(37)5-3-2-4-26-29-25(24-48-26)33-30(39)34-29/h25-26,29H,2-24H2,1H3,(H2,33,34,39)/t25-,26-,29-/m1/s1 |
| InChI Key | ZZZFELOBFYPAJE-WWPJHQMMSA-N |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 33 |
| Exact Mass | 706.35712773 g/mol |
| Monoisotopic Mass | 706.35712773 g/mol |
| Topological Polar Surface Area | 192Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 934 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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