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CHEBI:231651 - vosaroxin
| Formula | C18H19N5O4S |
| Net Charge | 0 |
| Average Mass | 401.448 |
| Monoisotopic Mass | 401.11578 |
| SMILES | CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC |
| InChI | InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1 |
| InChIKey | XZAFZXJXZHRNAQ-STQMWFEESA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. intercalator A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages. topoisomerase II inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase II. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vosaroxin (CHEBI:231651) has role antineoplastic agent (CHEBI:35610) |
| vosaroxin (CHEBI:231651) has role apoptosis inducer (CHEBI:68495) |
| vosaroxin (CHEBI:231651) has role intercalator (CHEBI:24853) |
| vosaroxin (CHEBI:231651) has role radiosensitizing agent (CHEBI:132992) |
| vosaroxin (CHEBI:231651) has role topoisomerase II inhibitor (CHEBI:156203) |
| vosaroxin (CHEBI:231651) is a 1,3-thiazoles (CHEBI:38418) |
| vosaroxin (CHEBI:231651) is a 1,8-naphthyridine derivative (CHEBI:73537) |
| vosaroxin (CHEBI:231651) is a cyclic ketone (CHEBI:3992) |
| vosaroxin (CHEBI:231651) is a ether (CHEBI:25698) |
| vosaroxin (CHEBI:231651) is a monocarboxylic acid (CHEBI:25384) |
| vosaroxin (CHEBI:231651) is a pyrrolidines (CHEBI:38260) |
| vosaroxin (CHEBI:231651) is a quinolone (CHEBI:23765) |
| vosaroxin (CHEBI:231651) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| 7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid |
| INNs | Source |
|---|---|
| vosaroxin | WHO MedNet |
| vosaroxine | WHO MedNet |
| vosaroxinum | WHO MedNet |
| vosaroxina | WHO MedNet |
| Synonyms | Source |
|---|---|
| AG 7352 | ChEBI |
| SNS-595 | DrugBank |
| AG-7352 | DrugBank |
| AG7352 | ChEBI |
| SPC-595 | DrugBank |
| voreloxin | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| DB11999 | DrugBank |
| D08024 | KEGG DRUG |
| Vosaroxin | Wikipedia |
| US2011312988 | Patent |
| Registry Numbers | Sources |
|---|---|
| CAS:175414-77-4 | DrugBank |
| Citations |
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