3D model is for representation purpose only.
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XHSSKLQX | 4-aminocyclophosphamide prodrug |
Identification | |
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ConjuPepDB ID | cpd00553 |
Smiles | |
Inchi Key | InChIKey=LAKBVJRSUMTZMK-NEOOQPIPSA-N |
Molecular weight | 1055.41 |
Molecular formula | C40H68Cl2N13O14P |
Chemical name | Peptide information |
Sequence (one letter) | XHSSKLQX |
Length | 8 |
Peptide name | hexapeptide |
External ID | |
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CAS number | 1486478-94-7 |
Other information | |
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Application | Anticancer therapy, prostate (prodrug)) |
Additional function | Selective activation by prostate-specific antigen (PSA) |
Pharmacological class | anticancer |
Conjugate type | amide |
Linker | no |
Small molecule | 4-aminocyclophosphamide prodrug |
Small molecule CAS | 1486479-12-2 |
Small molecule structure | |
Structure method | 1H- and 13C-NMR |
NMR solvent | CDCl3 |
Calculated properties | |
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LogP | -8.58143 |
Rotatable bonds | 34 |
H bond donor | 14 |
H bond acceptor | 15 |
Polar surface area (PSA) | 420.82000 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Peptide conjugates of 4-aminocyclophosphamide as prodrugs of phosphoramide mustard for selective activation by prostate-specific antigen (PSA) | 2013 | Jiang, Yongying; Hu, Longqin | Bioorganic & Medicinal Chemistry |