2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:107425)

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ChEBI Name	2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester

ChEBI ID	CHEBI:107425

Stars	This entity has been manually annotated by a third party.

Supplier Information

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Formula

C14H15N3O4S2

Net Charge

Average Mass

353.419

Monoisotopic Mass

353.05040

InChI

InChI=1S/C14H15N3O4S2/c1-3-7-5-8(13(20)21-4-2)12(23-7)15-6-9-10(18)16-14(22)17-11(9)19/h5-6,15H,3-4H2,1-2H3,(H2,16,17,18,19,22)

InChIKey

MRAINDNXXUSXSU-UHFFFAOYSA-N

SMILES

CCC1=CC(=C(S1)NC=C2C(=O)NC(=S)NC2=O)C(=O)OCC

Roles Classification
Biological Role(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 )

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	2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:107425) is a barbiturates (CHEBI:22693)