Voreloxin

Chemical Information
Vosaroxin is a 1,8-naphthyridine derivative that is 1,8-naphthyridin-4(1H)-one substituted by 1,3-thiazol-2-yl, carboxy, and (3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl groups at positions 1, 3, and 7, respectively. It targets topoisomerase II and induces site-selective double-strand breaks in DNA, leading to apoptosis in cancer cells. It has a role as a radiosensitizing agent, a topoisomerase II inhibitor, an intercalator, an antineoplastic agent and an apoptosis inducer. It is a quinolone, a monocarboxylic acid, an ether, a member of pyrrolidines, a member of 1,3-thiazoles, a cyclic ketone, a secondary amino compound and a 1,8-naphthyridine derivative.
| CAS Number | 175414-77-4 |
| PubChem CID | 9952884 |
| IUPAC Name | 7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid |
| Molecular Formula | C18H19N5O4S |
| Molecular Weight | 401.4 |
| XLogP | -0.3 |
| Topological Polar Surface Area | 136 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 662 |
| Property | Value |
|---|---|
| Molecular Weight | 401.4 |
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.11577528 |
| Monoisotopic Mass | 401.11577528 |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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