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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| KIR | 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01358 |
| Smiles | |
| Molecular weight | 913.356 |
| Molecular formula | C39H59N7O14S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | KIR |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 372166-55-7 |
| Other information | |
|---|---|
| Application | Anticancer therapy, cytotoxic agents |
| Additional function | DNA scission |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 2-[(3,6-Dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid |
| Small molecule CAS | 133735-47-4 |
| Structure method | EPR |
| Calculated properties | |
|---|---|
| LogP | -0.16804 |
| Rotatable bonds | 28 |
| H bond donor | 11 |
| H bond acceptor | 16 |
| Polar surface area (PSA) | 322.44000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
DNA scission chemistry and EPR studies of four new bis(2,6-dimethoxyhydroquinone-3-mercaptoacetic acid)-peptide conjugates | 2004 | Song, Yu-Fei | Australian Journal of Chemistry | ||
