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Biotin-PEG2-azide | CAS 945633-30-7
| Catalog Number | R14-0003 |
| Category | Azides |
| Molecular Formula | C₁₆H₂₈N₆O₄S |
| Molecular Weight | 400.50 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Biotin-PEG2-CH2CH2N3 is a polyethylene glycol (PEG)-based PROTAC linker. Biotin-PEG2-CH2CH2N3 can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Biotin-PEG3-Azide;(+)-Biotin-PEG2-CH2CH2N3; Biotin-PEG2-CH2CH2N3 |
| Purity | >97% |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]pentanamide |
| Canonical SMILES | C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN=[N+]=[N-])NC(=O)N2 |
| InChI | InChI=1S/C16H28N6O4S/c17-22-19-6-8-26-10-9-25-7-5-18-14(23)4-2-1-3-13-15-12(11-27-13)20-16(24)21-15/h12-13,15H,1-11H2,(H,18,23)(H2,20,21,24)/t12-,13-,15-/m0/s1 |
| InChIKey | OVEZMVONEJMGLZ-YDHLFZDLSA-N |
| Solubility | Soluble in DMF, DMSO, moderately Soluble in water |
| Appearance | White Solid |
| Storage | Powder, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 400.18927457 g/mol |
| Monoisotopic Mass | 400.18927457 g/mol |
| Topological Polar Surface Area | 128Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 531 |
| 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 |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022272307-A1 | Bifunctional folate receptor binding compounds | 2021-06-24 |
| WO-2022150721-A1 | Bifunctional folate receptor binding compounds | 2021-01-08 |
| CA-3068146-A1 | Heterochromatin gene repression inhibitors | 2017-06-30 |
| EP-3645006-A1 | Heterochromatin gene repression inhibitors | 2017-06-30 |
| KR-20200035029-A | Heterochromatin gene inhibition inhibitor | 2017-06-30 |
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