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CHEBI:139526 - MP-PYT

ChEBI IDCHEBI:139526
ChEBI NameMP-PYT
Stars
DefinitionA member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a p-tolyl group while the carbon at position 5 is substituted by a (2E)-3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity.
Last Modified26 January 2018
SubmitterCeri
DownloadsMolfile
FormulaC22H21N3O3
Net Charge0
Average Mass375.428
Monoisotopic Mass375.15829
SMILESCc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-7-11-18(12-8-15)25-21(27)19(20(26)23-22(25)28)6-4-5-16-9-13-17(14-10-16)24(2)3/h4-14H,1-3H3,(H,23,26,28)/b5-4+,19-6-
InChIKeyPWTBKWGOGGNEKK-SDQPKSGYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
osteogenesis regulator  Any compound that induces or regulates osteogenesis.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Application:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
MP-PYT (CHEBI:139526) has role osteogenesis regulator (CHEBI:63054)
MP-PYT (CHEBI:139526) is a barbiturates (CHEBI:22693)
MP-PYT (CHEBI:139526) is a substituted aniline (CHEBI:48975)
IUPAC Name 
(5Z)-5-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms  Source
5-(3-(4-(dimethylamino)phenyl)allylidene)-1-(3,5-methylphenyl)pyrimidine-2,4,6-(1H,3H,5H)-trioneSUBMITTER
STK176711ChEBI
STK-176711ChEBI
(5Z)-5-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trioneIUPAC
Citations