sulmazole (CHEBI:34988)

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ChEBI Name	sulmazole

ChEBI ID	CHEBI:34988

Definition	An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A₁ adenosine receptor antagonist, it was formerly used as a cardiotonic agent.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H13N3O2S

Net Charge

Average Mass

287.33700

Monoisotopic Mass

287.07285

InChI

InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)

InChIKey

XMFCOYRWYYXZMY-UHFFFAOYSA-N

SMILES

COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O

Roles Classification
Biological Role(s):	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*). adenosine A1 receptor antagonist An antagonist at the A1 receptor.

Application(s):	cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output.

ChEBI Ontology
Outgoing	sulmazole (CHEBI:34988) has role adenosine A₁ receptor antagonist (CHEBI:63957) sulmazole (CHEBI:34988) has role cardiotonic drug (CHEBI:38147) sulmazole (CHEBI:34988) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218) sulmazole (CHEBI:34988) is a imidazopyridine (CHEBI:46908) sulmazole (CHEBI:34988) is a sulfoxide (CHEBI:22063)

IUPAC Name

2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine

Synonym	Source
2-[2-methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-b]pyridine	ChemIDplus

Registry Number	Type	Source
73384-60-8	CAS Registry Number	ChemIDplus

Last Modified

22 February 2017