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MedKoo Cat#: 526743 | Name: Edelinontrine
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Edelinontrine, also known as PF-04447943, is a potent and selective brain penetrant PDE9A inhibitor for the treatment of cognitive disorders. PF-04447943 attenuates a scopolamine-induced deficit in a novel rodent attention task. PF-04447943 enhances synaptic plasticity and cognitive function in rodents.

Chemical Structure

Edelinontrine
Edelinontrine
CAS#1082744-20-4

Theoretical Analysis

MedKoo Cat#: 526743

Name: Edelinontrine

CAS#: 1082744-20-4

Chemical Formula: C20H25N7O2

Exact Mass: 395.2070

Molecular Weight: 395.47

Elemental Analysis: C, 60.74; H, 6.37; N, 24.79; O, 8.09

Price and Availability

Size Price Availability Quantity
5mg USD 250.00 2 Weeks
10mg USD 450.00 2 Weeks
25mg USD 850.00 2 Weeks
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Related CAS #
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Synonym
PF-04447943; PF 04447943; PF04447943; PF-4447943; PF 4447943; PF4447943, edelinontrine
IUPAC/Chemical Name
6-((3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one
InChi Key
IWXUVYOOUMLUTQ-CZUORRHYSA-N
InChi Code
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
SMILES Code
O=C1C2=C(N(C3CCOCC3)N=C2)N=C([C@@H]4CN(CC5=NC=CC=N5)C[C@H]4C)N1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 395.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Li Z, Lu X, Feng LJ, Gu Y, Li X, Wu Y, Luo HB. Molecular dynamics-based discovery of novel phosphodiesterase-9A inhibitors with non-pyrazolopyrimidinone scaffolds. Mol Biosyst. 2015 Jan;11(1):115-25. doi: 10.1039/c4mb00389f. Epub 2014 Oct 20. PubMed PMID: 25328054. 2: Nagy D, Tingley FD 3rd, Stoiljkovic M, Hajós M. Application of neurophysiological biomarkers for Huntington's disease: evaluating a phosphodiesterase 9A inhibitor. Exp Neurol. 2015 Jan;263:122-31. doi: 10.1016/j.expneurol.2014.10.001. Epub 2014 Oct 12. PubMed PMID: 25315303. 3: Heckman PR, Wouters C, Prickaerts J. Phosphodiesterase inhibitors as a target for cognition enhancement in aging and Alzheimer's disease: a translational overview. Curr Pharm Des. 2015;21(3):317-31. Review. PubMed PMID: 25159073. 4: Schwam EM, Nicholas T, Chew R, Billing CB, Davidson W, Ambrose D, Altstiel LD. A multicenter, double-blind, placebo-controlled trial of the PDE9A inhibitor, PF-04447943, in Alzheimer's disease. Curr Alzheimer Res. 2014;11(5):413-21. PubMed PMID: 24801218. 5: Singh N, Patra S. Phosphodiesterase 9: insights from protein structure and role in therapeutics. Life Sci. 2014 Jun 13;106(1-2):1-11. doi: 10.1016/j.lfs.2014.04.007. Epub 2014 Apr 16. Review. PubMed PMID: 24746902. 6: Zhihui Q. Modulating nitric oxide signaling in the CNS for Alzheimer's disease therapy. Future Med Chem. 2013 Aug;5(12):1451-68. doi: 10.4155/fmc.13.111. Review. PubMed PMID: 23919554. 7: Claffey MM, Helal CJ, Verhoest PR, Kang Z, Fors KS, Jung S, Zhong J, Bundesmann MW, Hou X, Lui S, Kleiman RJ, Vanase-Frawley M, Schmidt AW, Menniti F, Schmidt CJ, Hoffman WE, Hajos M, McDowell L, O'Connor RE, Macdougall-Murphy M, Fonseca KR, Becker SL, Nelson FR, Liras S. Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J Med Chem. 2012 Nov 8;55(21):9055-68. doi: 10.1021/jm3009635. Epub 2012 Oct 12. PubMed PMID: 23025719. 8: Verhoest PR, Fonseca KR, Hou X, Proulx-Lafrance C, Corman M, Helal CJ, Claffey MM, Tuttle JB, Coffman KJ, Liu S, Nelson F, Kleiman RJ, Menniti FS, Schmidt CJ, Vanase-Frawley M, Liras S. Design and discovery of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyr an-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (PF-04447943), a selective brain penetrant PDE9A inhibitor for the treatment of cognitive disorders. J Med Chem. 2012 Nov 8;55(21):9045-54. doi: 10.1021/jm3007799. Epub 2012 Jul 25. PubMed PMID: 22780914. 9: Vardigan JD, Converso A, Hutson PH, Uslaner JM. The selective phosphodiesterase 9 (PDE9) inhibitor PF-04447943 attenuates a scopolamine-induced deficit in a novel rodent attention task. J Neurogenet. 2011 Dec;25(4):120-6. doi: 10.3109/01677063.2011.630494. Epub 2011 Nov 9. PubMed PMID: 22070409. 10: Hutson PH, Finger EN, Magliaro BC, Smith SM, Converso A, Sanderson PE, Mullins D, Hyde LA, Eschle BK, Turnbull Z, Sloan H, Guzzi M, Zhang X, Wang A, Rindgen D, Mazzola R, Vivian JA, Eddins D, Uslaner JM, Bednar R, Gambone C, Le-Mair W, Marino MJ, Sachs N, Xu G, Parmentier-Batteur S. The selective phosphodiesterase 9 (PDE9) inhibitor PF-04447943 (6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-py ran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) enhances synaptic plasticity and cognitive function in rodents. Neuropharmacology. 2011 Sep;61(4):665-76. doi: 10.1016/j.neuropharm.2011.05.009. Epub 2011 May 19. PubMed PMID: 21619887.