BAY 73-6691 (CHEBI:231440)

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ChEBI Name	BAY 73-6691

ChEBI ID	CHEBI:231440

Definition	A 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.

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

Submitter	Doug Howe

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Formula

C15H12ClF3N4O

Net Charge

Average Mass

356.730

Monoisotopic Mass

356.06517

InChI

InChI=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

InChIKey

FFPXPXOAFQCNBS-MRVPVSSYSA-N

SMILES

C[C@H](CC1=NC2=C(C=NN2C2=CC=CC=C2Cl)C(=O)N1)C(F)(F)F

Roles Classification
Biological Role(s):	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.*).

Application(s):	nootropic agent Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	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	Sources
(R)-BAY 73-6691	ChEBI
(R)-BAY-73-6691	ChEBI
1-(2-chlorophenyl)-1,5-dihydro-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-4H-pyrazolo[3,4-d]pyrimidin-4-one	ChEBI
BAY 736691	SUBMITTER
BAY-73-6691	ChEBI
BAY736691	SUBMITTER

Registry Number	Type	Source
794568-92-6	CAS Registry Number	ChEBI

Last Modified

22 May 2024