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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XGLRKRLRKFRNKIKEK | propanamide | 2-Nitro-1H-imidazole-1-acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00139 |
| Smiles | |
| Inchi Key | InChIKey=VERPUPISRUUMLJ-CVUFDIJKNA-K |
| Molecular weight | 3147.61 |
| Molecular formula | C132H220[64Cu+2]N49O34[O-]3 |
| Chemical name | Peptide information |
| Sequence (one letter) | XGLRKRLRKFRNKIKEK |
| Length | 17 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2098389-71-8 |
| Other information | |
|---|---|
| Application | Antitumor therapy, MCF-7 cells |
| Additional function | Targeting hypoxic cells, Improve stability Fluorescence- and Radiolabel imaging via chelation |
| Pharmacological class | anticancer |
| Conjugate type | amine |
| Linker | N/A |
| Linker Type | propanamide |
| Small molecule | 2-Nitro-1H-imidazole-1-acetic acid |
| Small molecule CAS | 22813-32-7 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -35.36355 |
| Rotatable bonds | 107 |
| H bond donor | 37 |
| H bond acceptor | 54 |
| Polar surface area (PSA) | 1334.62000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Biological characterization of novel nitroimidazole-peptide conjugates in vitro and in vivo | 2017 | Bergmann, Ralf; Splith, Katrin; Pietzsch, Jens; Bachmann, Michael; Neundorf, Ines | Journal of Peptide Science | ||
