pibutidine (CHEBI:145662)

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ChEBI Name	pibutidine

ChEBI ID	CHEBI:145662

Definition	An aromtic ether that is 4-(piperidin-1-ylmethyl)pyridin-2-ol in which the hydroxy group has been substituted by a {(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy group. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers.

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

Supplier Information

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Formula

C19H24N4O3

Net Charge

Average Mass

356.426

Monoisotopic Mass

356.18484

InChI

InChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-

InChIKey

XMDYZASWLGWIPL-DJWKRKHSSA-N

SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC=3C(C(C3N)=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):	H2-receptor antagonist H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.

Application(s):	H2-receptor antagonist H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine. anti-ulcer drug One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.

ChEBI Ontology
Outgoing	pibutidine (CHEBI:145662) has role anti-ulcer drug (CHEBI:49201) pibutidine (CHEBI:145662) has role H₂-receptor antagonist (CHEBI:37961) pibutidine (CHEBI:145662) is a aromatic ether (CHEBI:35618) pibutidine (CHEBI:145662) is a cyclobutenones (CHEBI:59718) pibutidine (CHEBI:145662) is a olefinic compound (CHEBI:78840) pibutidine (CHEBI:145662) is a piperidines (CHEBI:26151) pibutidine (CHEBI:145662) is a primary amino compound (CHEBI:50994) pibutidine (CHEBI:145662) is a pyridines (CHEBI:26421) pibutidine (CHEBI:145662) is a secondary amino compound (CHEBI:50995) pibutidine (CHEBI:145662) is conjugate base of pibutidine(1+) (CHEBI:145665)

Incoming	pibutidine(1+) (CHEBI:145665) is conjugate acid of pibutidine (CHEBI:145662)

IUPAC Name

3-amino-4-{[(2Z)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-yl]amino}cyclobut-3-ene-1,2-dione

Synonym	Source
3-amino-4-[[(Z)-4-[4-(piperidinomethyl)pyridin-2-yloxy]-2-butenyl]amino]-3-cyclobutene-1,2-dione	ChEBI

Registry Number	Type	Source
103922-33-4	CAS Registry Number	ChemIDplus

Last Modified

12 December 2019