BAY 73-6691

SIGMA/B3561 - ≥98% (HPLC), powder

Synonym: 1-(2-Chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-one

CAS Number: 794568-92-6
Empirical Formula (Hill Notation): C₁₅H₁₂ClF₃N₄O
Molecular Weight: 356.73
MDL Number: MFCD08705319
Linear Formula: C₁₅H₁₂ClF₃N₄O
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-B3561-5MG	5 mg	$270.68 1/EA	Add To Favorites
45-B3561-25MG	25 mg	$850.42 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	off-white
form	powder
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
InChI key	FFPXPXOAFQCNBS-MRVPVSSYSA-N
originator	Bayer
Quality Level	100
SMILES string	C[C@H](CC1=Nc2c(cnn2-c3ccccc3Cl)C(=O)N1)C(F)(F)F
solubility	DMSO: >20 mg/mL
storage temp.	2-8°C

Application:	BAY 73-6691 has been used as a phosphodiesterase 9 inhibitor in ischemic heart samples and in structural studies. It may be used as a PDE 9 inhibitor in neuroblastoma SH-SY5Y cells.
Biochem/physiol Actions:	BAY 73-6691 is the first potent, selective, cell permeable inhibitor of phosphodiesterase 9 (IC₅₀ for human PDE9 = 55 nM; little to no activity at other PDEs); PDE9 is highly selective for cGMP and is detected in brain, kidney, spleen, prostate, colon, and intestine.
Biochem/physiol Actions:	BAY 73-6691 was characterized in vitro as the first potent and selective inhibitor of phosphodiesterase 9 (PDE9), which is currently under preclinical development for the treatment of Alzheimer′s disease. This compound selectively inhibits human (IC₅₀ = 55 nM) and murine (IC₅₀ = 100 nM) PDE9 activity in vitro and shows only moderate activity against other cyclic nucleotide-specific phosphodiesterases. BAY 73-6691 alone did not significantly increase basal cGMP levels. The PDE9 inhibitor significantly potentiated the cGMP signals generated by sGC activating compounds such as BAY 58-2667 or 5-cyclopropyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-ylamine (BAY 41-2272) and induced leftward shifts of the corresponding concentration-response curves. The newly generated PDE9 reporter cell line show that BAY 73-6691 is able to efficiently penetrate cells and to inhibit intracellular PDE9 activity.†
Features and Benefits:	This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
Features and Benefits:	This compound is featured on the Phosphodiesterases page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here .
Features and Benefits:	This compound was developed by Bayer . To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here .
Packaging:	5, 25 mg in glass bottle

Symbol	GHS06
Signal word	Danger
Hazard statements	H300 - H315 - H319 - H335 - H413
Precautionary statements	P273 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
Hazard Codes	T,Xi
Risk Statements	25-36/37/38
Safety Statements	26-45
RIDADR	UN 2811 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	2-8°C
UNSPSC	41106305

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