CHEBI:231689 - pluripotin

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ChEBI Name pluripotin
ChEBI ID CHEBI:231689
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alexandra Millett
Supplier Information
Download Molfile XML SDF
Formula C27H25F3N8O2
Net Charge 0
Average Mass 550.546
Monoisotopic Mass 550.20526
InChI InChI=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)
InChIKey NBZFRTJWEIHFPF-UHFFFAOYSA-N
SMILES CN1N=C(C)C=C1NC1=NC=C2CN(C(=O)N(C)C2=N1)C1=C(C)C=CC(NC(=O)C2=CC(=CC=C2)C(F)(F)F)=C1
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
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)benzamide SUBMITTER
SC 1 SUBMITTER
SC-1 ChEBI
SC1 ChEBI
Registry Number Type Source
839707-37-8 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
17088537 PubMed citation Europe PMC
19056907 PubMed citation Europe PMC
19924098 PubMed citation Europe PMC
22564971 PubMed citation Europe PMC
23437320 PubMed citation Europe PMC
30153003 PubMed citation Europe PMC
32203790 PubMed citation Europe PMC
Last Modified
05 September 2024