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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| FCYWKTC | triazole | 3,5-bis(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00907 |
| Smiles | |
| Inchi Key | InChIKey=KSPHFVWAVSLZJU-IVJJAWHTSA-N |
| Molecular weight | 2773.13 |
| Molecular formula | C133H172N26O30S5 |
| Chemical name | Peptide information |
| Sequence (one letter) | FCYWKTC |
| Length | 7 |
| Peptide name | [Tyr3]Octreotide, dimer |
| External ID | |
|---|---|
| CAS number | 1227069-46-6 |
| Other information | |
|---|---|
| Application | Anticancer therapy, AR42J cells |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | 3,5-bis(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester |
| Small molecule CAS | 1227069-44-4 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 0.61001 |
| Rotatable bonds | 61 |
| H bond donor | 28 |
| H bond acceptor | 36 |
| Polar surface area (PSA) | 835.70000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of DOTA-Conjugated Multimeric [Tyr3]Octreotide Peptides via a Combination of Cu(I)-Catalyzed "Click"" Cycloaddition and Thio Acid/Sulfonyl Azide ""Sulfo-Click"" Amidation and Their in Vivo Evaluation" | 2010 | Yim, Cheng-Bin; Dijkgraaf, Ingrid; Merkx, Remco; Versluis, Cees; Eek, Annemarie; Mulder, Gwenn E.; Rijkers, Dirk T. S.; Boerman, Otto C.; Liskamp, Rob M. J. | Journal of Medicinal Chemistry | ||
