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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XAV | glycol acid | Curcumin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00045 |
| Smiles | |
| Inchi Key | InChIKey=XMFINFNJUYQDKQ-YBWFEJDOSA-N |
| Molecular weight | 596.237 |
| Molecular formula | C31H36N2O10 |
| Chemical name | Peptide information |
| Sequence (one letter) | XAV |
| Length | 3 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 2375240-28-9 |
| Other information | |
|---|---|
| Application | Anticancer therapy, HepG2 and SMMC-7721 cells |
| Additional function | Improved penetration (PepT1 mediated transport) and improve solubility |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | glycol acid |
| Small molecule | Curcumin |
| Small molecule CAS | 458-37-7 |
| Small molecule structure | |
| Structure method | 1H- and 13C NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 3.19737 |
| Rotatable bonds | 15 |
| H bond donor | 5 |
| H bond acceptor | 10 |
| Polar surface area (PSA) | 180.72000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and biological evaluation of a novel series of curcumin-peptide derivatives as PepT1-mediated transport drugs | 2019 | Zhang, Jiyun; Wen, Hongmei; Shen, Fei; Wang, Xinzhi; Shan, Chenxiao; Chai, Chuan; Liu, Jian; Li, Wei | Bioorganic Chemistry | ||
