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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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 |
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|---|---|---|---|---|
| XASX | hexanamide | FMOC chloride |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00220 |
| Smiles | |
| Inchi Key | InChIKey=MDBMDPFQFBASML-ZPZSXRRCSA-N |
| Molecular weight | 720.337 |
| Molecular formula | C38H48N4O10 |
| Chemical name | Peptide information |
| Sequence (one letter) | XASX |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 1028746-03-3 |
| Other information | |
|---|---|
| Application | Anticancer therapy, prostate (LNCaP and DU145 cells) |
| Additional function | Lead for further evaluation and optimization in the development of prostate cancer-targeted prodrugs |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | hexanamide |
| Small molecule | FMOC chloride |
| Small molecule CAS | 28920-43-6 |
| Small molecule structure | |
| Structure method | 1H- anf 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 1.06733 |
| Rotatable bonds | 16 |
| H bond donor | 6 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 211.67000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design and synthesis of peptide conjugates of phosphoramide mustard as prodrugs activated by prostate-specific antigen | 2016 | Wu, Xinghua; Hu, Longqin | Bioorganic & Medicinal Chemistry | ||
