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CHEBI:231440 - BAY 73-6691

ChEBI IDCHEBI:231440
ChEBI NameBAY 73-6691
Stars
DefinitionA member of the class of pyrazolopyrimidines that is 4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine substituted by 2-chlorophenyl, oxo, and (2R)-3,3,3-trifluoro-2-methylpropyl groups at positions 1, 4 and 6, respectively. It is a potent and selective inhibitor of phosphodiesterase 9 (PDE9), currently in pre-clinical development for the treatment of Alzheimer's disease.
Last Modified22 May 2024
Submitterdoughowe
DownloadsMolfile
FormulaC15H12ClF3N4O
Net Charge0
Average Mass356.735
Monoisotopic Mass356.06517
SMILESC[C@H](Cc1nc(=O)c2cnn(-c3ccccc3Cl)c2n1)C(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
InChIKeyFFPXPXOAFQCNBS-MRVPVSSYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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.*).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
nootropic agent  Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration.
ChEBI Ontology
Outgoing Relation(s)
BAY 73-6691 (CHEBI:231440) has role apoptosis inducer (CHEBI:68495)
BAY 73-6691 (CHEBI:231440) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
BAY 73-6691 (CHEBI:231440) has role neuroprotective agent (CHEBI:63726)
BAY 73-6691 (CHEBI:231440) has role nootropic agent (CHEBI:66980)
BAY 73-6691 (CHEBI:231440) is a monochlorobenzenes (CHEBI:83403)
BAY 73-6691 (CHEBI:231440) is a organofluorine compound (CHEBI:37143)
BAY 73-6691 (CHEBI:231440) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Synonyms  Source
BAY-73-6691ChEBI
BAY736691SUBMITTER
BAY 736691SUBMITTER
1-(2-chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-oneChEBI
(R)-BAY 73-6691ChEBI
(R)-BAY-73-6691ChEBI
Manual XrefsDatabases
BAY_73-6691Wikipedia
Registry NumbersSources
CAS:794568-92-6ChEBI
Citations