EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139527 - DMP-PYT

ChEBI IDCHEBI:139527
ChEBI NameDMP-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 3,5-dimethylphenyl 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
FormulaC23H23N3O3
Net Charge0
Average Mass389.455
Monoisotopic Mass389.17394
SMILESCc1cc(C)cc(N2C(=O)NC(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)c1
InChIInChI=1S/C23H23N3O3/c1-15-12-16(2)14-19(13-15)26-22(28)20(21(27)24-23(26)29)7-5-6-17-8-10-18(11-9-17)25(3)4/h5-14H,1-4H3,(H,24,27,29)/b6-5+,20-7-
InChIKeyAOXQMDNIXINZBX-NIGQNHAHSA-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)
DMP-PYT (CHEBI:139527) has role osteogenesis regulator (CHEBI:63054)
DMP-PYT (CHEBI:139527) is a barbiturates (CHEBI:22693)
DMP-PYT (CHEBI:139527) is a substituted aniline (CHEBI:48975)
IUPAC Name 
(5Z)-5-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Synonym  Source
5-(3-(4-(dimethylamino)phenyl)allylidene)-1-(3,5-dimethyl-phenyl)pyrimidine-2,4,6-(1H,3H,5H)-trioneSUBMITTER
Citations