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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| CFFRKSIINFEKL | 6″-Deoxy-6″-thio-α-GalCer |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00256 |
| Smiles | |
| Inchi Key | InChIKey=YVNUPZZOCKSXPK-TVKZNQMMSA-N |
| Molecular weight | 2515.58 |
| Molecular formula | C128H218N20O26S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | CFFRKSIINFEKL |
| Length | 13 |
| Peptide name | model major histocompatibility complex (MHC)-binding peptide antigen |
| External ID | |
|---|---|
| CAS number | 1832622-24-8 |
| Other information | |
|---|---|
| Application | Synthesis, biologically cleavable linkers |
| Additional function | Possible applications in vaccine design in cancer and infectious diseses |
| Pharmacological class | other |
| Conjugate type | disulfide |
| Linker | no |
| Small molecule | 6″-Deoxy-6″-thio-α-GalCer |
| Small molecule CAS | 1640104-21-7 |
| Small molecule structure | |
| Structure method | 1H- 13C NMR |
| NMR solvent | 3:1 CDCl3 / CD3OD |
| Calculated properties | |
|---|---|
| LogP | 7.01721 |
| Rotatable bonds | 103 |
| H bond donor | 27 |
| H bond acceptor | 32 |
| Polar surface area (PSA) | 778.29000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and Activity of 6″-Deoxy-6″-thio-α-GalCer and Peptide Conjugates | 2015 | Compton, Benjamin J.; Tang, Ching-wen; Johnston, Karen A.; Osmond, Taryn L.; Hayman, Colin M.; Larsen, David S.; Hermans, Ian F.; Painter, Gavin F. | Organic Letters | ||
