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CHEBI:142435 - BAY 41-2272

ChEBI IDCHEBI:142435
ChEBI NameBAY 41-2272
Stars
DefinitionA 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.
Last Modified25 October 2018
SubmitterBijay
DownloadsMolfile
FormulaC20H17FN6
Net Charge0
Average Mass360.396
Monoisotopic Mass360.14987
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1
InChIInChI=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)
InChIKeyATOAHNRJAXSBOR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
soluble guanylate cyclase activator  Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Applications:
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 Relation(s)
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  Source
5-cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamineChemIDplus
BAY 41-2272ChEBI
BAY-41-2272ChemIDplus
BAY-412272ChEBI
Manual XrefsDatabases
US6833364Patent
Registry NumbersSources
Reaxys:8867995Reaxys
CAS:256376-24-6ChemIDplus
Citations