PF 04449613

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Cat.No. 5915 - PF 04449613 | C21H25N5O3 | CAS No. 1236858-52-8
Description: Potent PDE9 inhibitor; brain penetrant
Alternative Names: PF 9613
Chemical Name: 1,5-Dihydro-6-[(1R)-1-(3-phenoxy-1-azetidinyl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-4H-pyrazolo[3,4-d]pyrimidin-4-one
Purity: ≥98% (HPLC)
Datasheet
Citations
Literature

Biological Activity

Potent PDE9 inhibitor (IC50 = 22 nM). Also exhibits a high affinity for cGMP (Km ~170 nM). Brain penetrant.

Licensing Information

Sold for research purposes under agreement from Pfizer Inc.

Technical Data

M. Wt 395.45
Formula C21H25N5O3
Storage Store at -20°C
Purity ≥98% (HPLC)
CAS Number 1236858-52-8
PubChem ID 46851937
InChI Key WEDCMPMDOVEMSV-CQSZACIVSA-N
Smiles C[C@H](C1=NC(C2=C(N(C3CCOCC3)N=C2)N1)=O)N4CC(OC5=CC=CC=C5)C4

The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.

All Tocris products are intended for laboratory research use only.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
1eq. HCl 3.95 10mM with gentle warming
DMSO 39.55 100

Preparing Stock Solutions

The following data is based on the product molecular weight 395.45. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 2.53 mL 12.64 mL 25.29 mL
5 mM 0.51 mL 2.53 mL 5.06 mL
10 mM 0.25 mL 1.26 mL 2.53 mL
50 mM 0.05 mL 0.25 mL 0.51 mL

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Product Datasheets

Certificate of Analysis / Product Datasheet
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Safety Datasheet

References

References are publications that support the products' biological activity.

Kleiman et al (2012) Phosphodiesterase 9A regulates central cGMP and modulates responses to cholinergic and monoaminergic perturbation in vivo. J.Pharmacol.Exp.Ther. 341 396 PMID: 22328573

Lee et al (2015) Phosphodiesterase 9A controls nitric-oxide-independent cGMP and hypertrophic heart disease. Nature 519 472 PMID: 25799991

Claffey et al (2012) Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem. 55 9055 PMID: 23025719


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Cardiovascular

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