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PF-04447943

CAT: 0013-GTR19203292-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203292-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-04447943 (Edelinontrine) is a potent and selective PDE9A inhibitor (IC50=12 nM) demonstrating anti-inflammatory effects through modulation of oxidative stress and T-cell responses. It has shown potential in preclinical research for conditions like sickle cell disease, with studies conducted both in vitro and in vivo.
CAS Number
1082744-20-4
Product Name Alternative
PDE9A, PF 04447943, PF04447943, PF-04447943, Edelinontrine
Field of Research
Metabolism Research
Purity
97.01% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (6.32 mM) ; DMSO:55 mg/mL (139.08 mM)
Smiles
C[C@@H]1CN (Cc2ncccn2) C[C@H]1c1nc2n (ncc2c (=O) [nH]1) C1CCOCC1
Molecular Formula
C20H25N7O2
Molecular Weight
395.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pf-04447943

PF-04447943 has been investigated for the treatment of Alzheimer's Disease.

CAS Number1082744-20-4
PubChem CID135564558
IUPAC Name6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC20H25N7O2
Molecular Weight395.5
XLogP0
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity632
SMILES
C[C@@H]1CN(C[C@H]1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5
InChI
InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1
InChIKey
IWXUVYOOUMLUTQ-CZUORRHYSA-N
Chemical Structure
2D Structure
2D structure of Pf-04447943
CAS: 1082744-20-4
CID: 135564558
Formula: C20H25N7O2
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass395.20697307
Monoisotopic Mass395.20697307
Topological Polar Surface Area97.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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