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PDM-631

CAT: 0013-GTR19273393-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273393-01Size:50 mg
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Description
PDM-631 is a selective and orally active inhibitor of PDE2A with the ability to penetrate the blood-brain barrier. It demonstrates potent inhibitory activity against recombinant PDE2A in humans and rats, with IC50 values of 1.5 nM and 4.2 nM, respectively. PDM-631 increases cGMP levels in the rat cerebral cortex and is suitable for research on schizophrenia and neurodegenerative diseases.
CAS Number
2095312-08-4
Smiles
[C@@H] (CC1=CC=C (OC (F) (F) F) C=C1) (C) N2C3=C (C (=N2) C4CC4) C (=O) N=C (C) N3
Molecular Formula
C19H19F3N4O2
Molecular Weight
392.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-cyclopropyl-6-methyl-1-[(2R)-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CAS Number2095312-08-4
PubChem CID137530062
IUPAC Name3-cyclopropyl-6-methyl-1-[(2R)-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC19H19F3N4O2
Molecular Weight392.4
XLogP3.4
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity629
SMILES
CC1=NC2=C(C(=NN2[C@H](C)CC3=CC=C(C=C3)OC(F)(F)F)C4CC4)C(=O)N1
InChI
InChI=1S/C19H19F3N4O2/c1-10(9-12-3-7-14(8-4-12)28-19(20,21)22)26-17-15(16(25-26)13-5-6-13)18(27)24-11(2)23-17/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,23,24,27)/t10-/m1/s1
InChIKey
VHMPTEZWTNAXPL-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclopropyl-6-methyl-1-[(2R)-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CAS: 2095312-08-4
CID: 137530062
Formula: C19H19F3N4O2
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass392.14601035
Monoisotopic Mass392.14601035
Topological Polar Surface Area68.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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