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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XVPX | 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv. |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00890 |
| Smiles | |
| Inchi Key | InChIKey=RLMHZFWZDOQIKT-MJSVRXMYSA-N |
| Molecular weight | 918.405 |
| Molecular formula | C42H66N6O11SSi2 |
| Chemical name | Peptide information |
| Sequence (one letter) | XVPX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1203578-12-4 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Increase solubility of drug molecules and/or to allow better formulation properties |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv. |
| Small molecule CAS | 142102-77-0 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | DMSO-d6 or acetone-d6 |
| Calculated properties | |
|---|---|
| LogP | 4.78720 |
| Rotatable bonds | 16 |
| H bond donor | 3 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 217.49000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Application of the Dipeptidyl Peptidase IV (DPPIV/CD26) Based Prodrug Approach to Different Amine-Containing Drugs | 2010 | Diez-Torrubia, Alberto; Garcia-Aparicio, Carlos; Cabrera, Silvia; De Meester, Ingrid; Balzarini, Jan; Camarasa, Maria-Jose; Velazquez, Sonsoles | Journal of Medicinal Chemistry | ||
