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PDE2A-IN-2

CAT: 0013-GTR19274754-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274754-01Size:10 mg
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Description
PDE2A-IN-2 is a selective blood-brain barrier-permeable PDE2A inhibitor (Ki = 5.49 nM) with over 100-fold selectivity for other PDE subtypes. The 11C-labeled PDE2A-IN-2 can be utilized as a positron emission tomography (PET) tracer for imaging in neurodegenerative diseases. In vitro, PDE2A-IN-2 reduces the signal of radiotracers in PDE2A-rich areas, while in vivo, it shows lower binding affinity. It is applicable in research focused on neurodegenerative conditions.
CAS Number
2055901-03-4
Smiles
FC (F) (F) C1=CC=C (C=C1) C2 (NC3=NC (=NC4=C3C=NN4C) C) CC2
Molecular Formula
C17H16F3N5
Molecular Weight
347.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,6-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number2055901-03-4
PubChem CID134587729
IUPAC Name1,6-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC17H16F3N5
Molecular Weight347.34
XLogP3.6
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity487
SMILES
CC1=NC(=C2C=NN(C2=N1)C)NC3(CC3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)
InChIKey
XBYSLZZQMIGOEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,6-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CAS: 2055901-03-4
CID: 134587729
Formula: C17H16F3N5
MW: 347.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.34
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass347.13578002
Monoisotopic Mass347.13578002
Topological Polar Surface Area55.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity487
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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