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CHEBI:229970 - CM-272

Default Structure
ChEBI IDCHEBI:229970
ChEBI NameCM-272
Stars
DefinitionA member of the class of aminoquinolines that is is quinoline substituted by 5-methylfuran-2-yl, (1-methylpiperidin-4-yl)amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a dual G9a/DNA methyltransferases inhibitor with antitumor activity. It inhibits G9a, DNMT1, DNMT3A, DNMT3B and GLP (IC50 = 8 nM, 382 nM, 85 nM, 1200 nM and 2 nM, respectively).
Last Modified8 April 2024
Submitterjonmuyskens
DownloadsMolfile
FormulaC28H38N4O3
Net Charge0
Average Mass478.637
Monoisotopic Mass478.29439
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)
InChIKeyRLQLKZTYUYIWDB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
ferroptosis inducer  Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of Enhancer of zeste homolog 2 (EZH2), a histone-lysine N-methyltransferase (EC 2.1.1.43).
EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of DNA (cytosine-5-)-methyltransferase (EC 2.1.1.37).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CM-272 (CHEBI:229970) has role antineoplastic agent (CHEBI:35610)
CM-272 (CHEBI:229970) has role apoptosis inducer (CHEBI:68495)
CM-272 (CHEBI:229970) has role EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor (CHEBI:90190)
CM-272 (CHEBI:229970) has role EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor (CHEBI:167694)
CM-272 (CHEBI:229970) has role ferroptosis inducer (CHEBI:173085)
CM-272 (CHEBI:229970) is a N-alkylpyrrolidine (CHEBI:46775)
CM-272 (CHEBI:229970) is a aminoquinoline (CHEBI:36709)
CM-272 (CHEBI:229970) is a aromatic ether (CHEBI:35618)
CM-272 (CHEBI:229970) is a diether (CHEBI:46786)
CM-272 (CHEBI:229970) is a furans (CHEBI:24129)
CM-272 (CHEBI:229970) is a piperidines (CHEBI:26151)
CM-272 (CHEBI:229970) is a secondary amino compound (CHEBI:50995)
CM-272 (CHEBI:229970) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[3-(pyrrolidin-1-yl)propoxy]quinolin-4-amine
Synonyms  Source
6-methoxy-2-(5-methyl-2-furanyl)-N-(1-methyl-4-piperidinyl)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinamineChEBI
CM 272ChEBI
CM272ChEBI
Registry NumbersSources
CAS:1846570-31-7ChEBI
Citations