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CHEBI:172325 - STM2457

ChEBI IDCHEBI:172325
ChEBI NameSTM2457
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid with the primary amino group of 1-[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-(cyclohexylmethyl)methanamine. It is a highly potent and selective first-in-class small molecule inhibitor of METTL3 (N6-adenosine-methyltransferase 70 kDa subunit) enzyme activity and exhibits anti-leukaemic activity.
Last Modified29 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC25H28N6O2
Net Charge0
Average Mass444.539
Monoisotopic Mass444.22737
SMILESO=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H28N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)
InChIKeyOBERVORNENYOLE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.1.1.348 (mRNA m6A methyltransferase) inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of mRNA m6A methyltransferase (EC 2.1.1.348).
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)
STM2457 (CHEBI:172325) has role antineoplastic agent (CHEBI:35610)
STM2457 (CHEBI:172325) has role apoptosis inducer (CHEBI:68495)
STM2457 (CHEBI:172325) has role EC 2.1.1.348 (mRNA m6A methyltransferase) inhibitor (CHEBI:172326)
STM2457 (CHEBI:172325) is a imidazopyridine (CHEBI:46908)
STM2457 (CHEBI:172325) is a pyridopyrimidine (CHEBI:38932)
STM2457 (CHEBI:172325) is a secondary amino compound (CHEBI:50995)
STM2457 (CHEBI:172325) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-[(6-{[(cyclohexylmethyl)amino]methyl}imidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
Synonyms  Source
STM 2457ChEBI
STM-2457ChEBI
Manual XrefsDatabases
WO2020201773Patent
Citations