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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XSAS | 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2′-amine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01003 |
| Smiles | |
| Molecular weight | 936.479 |
| Molecular formula | C55H64N6O8 |
| Chemical name | Peptide information |
| Sequence (one letter) | XSAS |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 1199559-04-0 |
| Other information | |
|---|---|
| Application | Diagnostic, detection of estrogen positive breast cancer cells |
| Additional function | Radiolabel complexation |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2′-amine |
| Small molecule CAS | 669056-32-0 |
| Structure method | 1H and 13C NMR |
| Calculated properties | |
|---|---|
| LogP | 8.68868 |
| Rotatable bonds | 20 |
| H bond donor | 4 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 179.10000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Estrano[17,16-e]pyrimidine-amino acid and estrano[17,16-e]pyrimidine-peptide conjugates | 2009 | Matsumoto, Tomohiro; Shiine, Kodai; Mataka, Shuntaro; Thiemann, Thies | Journal of Chemical Research | ||
