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CHEBI:142435 - BAY 41-2272

Default Structure
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:
vasodilator agent  A drug used to cause dilation of the blood vessels.
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.
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