BAY 41-2272 (CHEBI:142435)

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ChEBI Name	BAY 41-2272

ChEBI ID	CHEBI:142435

Definition	A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase.

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

Submitter	Bijay

Supplier Information

Download	Molfile XML SDF

Formula

C20H17FN6

Net Charge

Average Mass

360.388

Monoisotopic Mass

360.14987

InChI

InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)

InChIKey

ATOAHNRJAXSBOR-UHFFFAOYSA-N

SMILES

C(N1N=C(C2=C1N=CC=C2)C=3N=C(C(=CN3)C4CC4)N)C=5C=CC=CC5F

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):	soluble guanylate cyclase activator Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).

Application(s):	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. vasodilator agent A drug used to cause dilation of the blood vessels. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

ChEBI Ontology
Outgoing	BAY 41-2272 (CHEBI:142435) has role antihypertensive agent (CHEBI:35674) BAY 41-2272 (CHEBI:142435) has role platelet aggregation inhibitor (CHEBI:50427) BAY 41-2272 (CHEBI:142435) has role soluble guanylate cyclase activator (CHEBI:76022) BAY 41-2272 (CHEBI:142435) has role vasodilator agent (CHEBI:35620) BAY 41-2272 (CHEBI:142435) is a aminopyrimidine (CHEBI:38338) BAY 41-2272 (CHEBI:142435) is a cyclopropanes (CHEBI:51454) BAY 41-2272 (CHEBI:142435) is a monofluorobenzenes (CHEBI:83575) BAY 41-2272 (CHEBI:142435) is a pyrazolopyridine (CHEBI:46699)

IUPAC Name

5-cyclopropyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

Synonyms	Sources
5-cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine	ChemIDplus
BAY 41-2272	ChEBI
BAY-41-2272	ChemIDplus
BAY-412272	ChEBI

Last Modified

25 October 2018