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CHEBI:145421 - rigosertib sodium

Default Structure
ChEBI IDCHEBI:145421
ChEBI Namerigosertib sodium
Stars
DefinitionThe sodium salt of rigosertib. It is an anti-cancer agent which has been granted Orphan Drug Designation by the FDA for use in patients with myelodysplastic syndromes (MDS).
Last Modified19 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC21H24NO8S.Na
Net Charge0
Average Mass473.479
Monoisotopic Mass473.11203
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+]
InChIInChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;
InChIKeyVLQLUZFVFXYXQE-USRGLUTNSA-M
Roles Classification
Biological Roles:
EC 2.7.11.21 (polo kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of any polo kinase (EC 2.7.11.21).
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rigosertib sodium (CHEBI:145421) has part rigosertib(1−) (CHEBI:145422)
rigosertib sodium (CHEBI:145421) has role antineoplastic agent (CHEBI:35610)
rigosertib sodium (CHEBI:145421) has role apoptosis inducer (CHEBI:68495)
rigosertib sodium (CHEBI:145421) has role EC 2.7.11.21 (polo kinase) inhibitor (CHEBI:145425)
rigosertib sodium (CHEBI:145421) has role microtubule-destabilising agent (CHEBI:61951)
rigosertib sodium (CHEBI:145421) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate
Synonyms  Source
(E)-ON 01910.NaChEBI
novonexChemIDplus
ON 01910.NaChemIDplus
ON-01910.NaChEBI
ON 01910 sodiumChEBI
ON-01910 sodiumChEBI
Brand Name  Source
EstybonChEBI
Manual XrefsDatabases
D10155KEGG DRUG
DBSALT002144DrugBank
Registry NumbersSources
CAS:592542-60-4ChemIDplus
Citations