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PF-06815189

CAT: 0804-HY-124173Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-124173Size:1 Each
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Description
PF-06815189 is a phosphodiesterase 2A (PDE2A) inhibitor with an IC50 of 0.4 nM[1].
CAS Number
2218484-75-2
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/pf-06815189.html
Smiles
O=C1NC(C)=NN2C1=C(CO)N=C2C3=C(C4=CC=C(C(F)(F)F)C=C4)N(C)N=C3C
Molecular Formula
C19H17F3N6O2
Molecular Weight
418.37
References & Citations
[1]Stepan AF, et al. Late-Stage Microsomal Oxidation Reduces Drug-Drug Interaction and Identifies Phosphodiesterase 2A Inhibitor PF-06815189. ACS Med Chem Lett. 2018 Jan 4;9 (2) :68-72.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE2

Chemical Information

7-(1,3-Dimethyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-YL)-5-(hydroxymethyl)-2-methylimidazo[5,1-F][1,2,4]triazin-4(3H)-one
CAS Number2218484-75-2
PubChem CID137288419
IUPAC Name7-[1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(hydroxymethyl)-2-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular FormulaC19H17F3N6O2
Molecular Weight418.4
XLogP1.6
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity696
SMILES
CC1=NN(C(=C1C2=NC(=C3N2N=C(NC3=O)C)CO)C4=CC=C(C=C4)C(F)(F)F)C
InChI
InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30)
InChIKey
XLTUOMBYHVTYOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(1,3-Dimethyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-YL)-5-(hydroxymethyl)-2-methylimidazo[5,1-F][1,2,4]triazin-4(3H)-one
CAS: 2218484-75-2
CID: 137288419
Formula: C19H17F3N6O2
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass418.13650829
Monoisotopic Mass418.13650829
Topological Polar Surface Area97.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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