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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XRGDS | 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S)- |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01255 |
| Smiles | |
| Molecular weight | 783.319 |
| Molecular formula | C35H45N9O12 |
| Chemical name | Peptide information |
| Sequence (one letter) | XRGDS |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 910293-36-6 |
| Other information | |
|---|---|
| Application | Antithrombotic |
| Additional function | Free radical scavenging |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S)- |
| Small molecule CAS | 918539-33-0 |
| Structure method | 1H and 13C NMR, RP-HPLC-ESI-MS |
| NMR solvent | CD3OD+TFA |
| Calculated properties | |
|---|---|
| LogP | -6.83314 |
| Rotatable bonds | 19 |
| H bond donor | 13 |
| H bond acceptor | 16 |
| Polar surface area (PSA) | 339.64000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Dual-acting agents that possess free radical scavenging and antithrombotic activities: Design, synthesis, and evaluation of phenolic tetrahydro-β-carboline RGD peptide conjugates | 2006 | Bi, Wei; Bi, Lanrong; Cai, Jianhui; Liu, Sanguang; Peng, Shiqi; Fischer, Nicholas O.; Tok, Jeffrey B.-H.; Wang, Guohua | Bioorganic & Medicinal Chemistry | ||
