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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XRGD | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00523 |
| Smiles | |
| Inchi Key | InChIKey=WYGLUMVQNGJRFD-UIOOFZCWSA-N |
| Molecular weight | 762.362 |
| Molecular formula | C36H54N6O10S |
| Chemical name | Peptide information |
| Sequence (one letter) | XRGD |
| Length | 4 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1422185-85-0 |
| Other information | |
|---|---|
| Application | Anticancer therapy, photosensitizer |
| Additional function | Targeting GRP and integrin receptors, fluorescence- and PETimaging |
| Pharmacological class | anticancer |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- |
| Small molecule CAS | 154445-77-9 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 0.87153 |
| Rotatable bonds | 19 |
| H bond donor | 6 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 244.68000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Phthalocyanine-Peptide Conjugates: Receptor-Targeting Bifunctional Agents for Imaging and Photodynamic Therapy | 2013 | Ranyuk, Elena; Cauchon, Nicole; Klarskov, Klaus; Guerin, Brigitte; van Lier, Johan E. | Journal of Medicinal Chemistry | ||
