MP-PYT (CHEBI:139526)

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ChEBI Name	MP-PYT

ChEBI ID	CHEBI:139526

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

Formula

C22H21N3O3

Net Charge

Average Mass

375.421

Monoisotopic Mass

375.15829

InChI

InChI=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-

InChIKey

PWTBKWGOGGNEKK-SDQPKSGYSA-N

SMILES

C=1(C=CC(=CC1)C)N2C(NC(/C(/C2=O)=C/C=C/C=3C=CC(=CC3)N(C)C)=O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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. (via barbiturates )

Application(s):	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. (via barbiturates )

ChEBI Ontology
Outgoing	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	Sources
(5Z)-5-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione	IUPAC
5-(3-(4-(dimethylamino)phenyl)allylidene)-1-(3,5-methylphenyl)pyrimidine-2,4,6-(1H,3H,5H)-trione	SUBMITTER
STK-176711	ChEBI
STK176711	ChEBI

Citation	Type	Source
28814721	PubMed citation	SUBMITTER

Last Modified

26 January 2018