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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| NVPGNVPG | PEG | O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)-O-[6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosyl azide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01184 |
| Smiles | |
| Inchi Key | InChIKey=BJWCRUNVYWJFNW-UHFFFAOYSA-N |
| Molecular weight | 2833.23 |
| Molecular formula | C116H192N16O64 |
| Chemical name | Peptide information |
| Sequence (one letter) | NVPGNVPG |
| Length | 8 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 930806-35-2 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | enhanced inhibition of E-selectin binding |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)-O-[6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosyl azide |
| Small molecule CAS | 161814-50-2 |
| Structure method | 1H NMR |
| NMR solvent | Me2SO-d6 |
| Calculated properties | |
|---|---|
| LogP | -22.86985 |
| Rotatable bonds | 66 |
| H bond donor | 38 |
| H bond acceptor | 64 |
| Polar surface area (PSA) | 1170.74000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Spacer-separated sialyl Lewisx cyclo-peptide conjugates as potential E-selectin ligands | 2007 | Herzner, Holger; Kunz, Horst | Carbohydrate Research | ||
