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CHEBI:70723 - reversine

Default Structure
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:
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.
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).
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
LSM-5842LINCS
ReversineWikipedia
Registry NumbersSources
Reaxys:9591952Reaxys
CAS:656820-32-5ChemIDplus
Citations