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CHEBI:70723 - reversine

ChEBI IDCHEBI:70723
ChEBI Namereversine
Stars
DefinitionA member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H27N7O
Net Charge0
Average Mass393.495
Monoisotopic Mass393.22771
SMILESc1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2n1
InChIInChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
InChIKeyZFLJHSQHILSNCM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Aurora kinase inhibitor  Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation).
cell dedifferentiation agent  Any compound which induces a partially or terminally differentiated cell to revert to an earlier developmental stage.
adenosine A3 receptor antagonist  An antagonist at the A3 receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
reversine (CHEBI:70723) has functional parent 9H-purine-2,6-diamine (CHEBI:40235)
reversine (CHEBI:70723) has role adenosine A3 receptor antagonist (CHEBI:70725)
reversine (CHEBI:70723) has role antineoplastic agent (CHEBI:35610)
reversine (CHEBI:70723) has role Aurora kinase inhibitor (CHEBI:70770)
reversine (CHEBI:70723) has role cell dedifferentiation agent (CHEBI:70724)
reversine (CHEBI:70723) is a morpholines (CHEBI:38785)
reversine (CHEBI:70723) is a purines (CHEBI:26401)
reversine (CHEBI:70723) is a secondary amino compound (CHEBI:50995)
reversine (CHEBI:70723) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N6-cyclohexyl-N2-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine
Synonym  Source
2-(4-morpholinoanilino)-6-cyclohexylaminopurineChEBI
Manual XrefsDatabases
ReversineWikipedia
LSM-5842LINCS
Registry NumbersSources
Reaxys:9591952Reaxys
CAS:656820-32-5ChemIDplus
Citations