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CHEBI:231689 - pluripotin

ChEBI IDCHEBI:231689
ChEBI Namepluripotin
Stars
DefinitionA member of the class of pyrimidopyrimidines that is 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one substituted by methyl, 2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl, and (1,3-dimethyl-1H-pyrazol-5-yl)amino group at positions 1, 3, and 7, respectively. It is a dual inhibitor of ERK1 and RasGAP.
Last Modified5 September 2024
Submitteramillett1
DownloadsMolfile
FormulaC27H25F3N8O2
Net Charge0
Average Mass550.545
Monoisotopic Mass550.20526
SMILESCc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)n(C)n1
InChIInChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKeyNBZFRTJWEIHFPF-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
pluripotin (CHEBI:231689) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
pluripotin (CHEBI:231689) is a (trifluoromethyl)benzenes (CHEBI:83565)
pluripotin (CHEBI:231689) is a benzamides (CHEBI:22702)
pluripotin (CHEBI:231689) is a pyrazoles (CHEBI:26410)
pluripotin (CHEBI:231689) is a pyrimidopyrimidine (CHEBI:48514)
pluripotin (CHEBI:231689) is a secondary carboxamide (CHEBI:140325)
pluripotin (CHEBI:231689) is a toluenes (CHEBI:27024)
IUPAC Name 
N-(3-{7-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl}-4-methylphenyl)-3-(trifluoromethyl)benzamide
Synonyms  Source
N-(3-(7-(1,3-dimethyl-1H-pyrazol-5-ylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamideSUBMITTER
SC 1SUBMITTER
SC1ChEBI
SC-1ChEBI
Registry NumbersSources
CAS:839707-37-8SUBMITTER
Citations