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Mardepodect

CAT: 0804-HY-50098-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-50098-01Size:5 mg
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Description
Mardepodect (PF-2545920) is a potent, orally active and selective PDE10A inhibitor with an IC50 of 0.37 nM, with >1000-fold selectivity over other PDEs. Mardepodect can cross the blood-brain barrier[1][2].
CAS Number
898562-94-2
Product Name Alternative
PF-2545920
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/PF-2545920.html
Purity
98.81
Solubility
DMSO : ≥ 45 mg/mL
Smiles
CN(N=C1C2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C=C1C5=CC=NC=C5
Molecular Formula
C25H20N4O
Molecular Weight
392.45
Precautions
H302, H315, H319
References & Citations
[1]Verhoest PR, et al. Discovery of a novel class of phosphodiesterase 10A inhibitors and identification of clinical candidate 2-[4- (1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl) -phenoxymethyl]-quinoline (PF-2545920) for the treatment of schizophrenia. J Med Chem, 2009, 52 (16), 5188-5196.|[2]Grauer SM, et al. Phosphodiesterase 10A inhibitor activity in preclinical models of the positive, cognitive, and negative symptoms of schizophrenia. J Pharmacol Exp Ther, 2009, 331 (2), 574-590.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
PDE10
Citation 01
BioRxiv. 2025 March 17.|Toxicol Appl Pharmacol. 2024 May:486:116945.|Patent. US20230111925A1.

Chemical Information

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline

a phosphodiesterase inhibitor

CAS Number898562-94-2
PubChem CID11581936
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Molecular FormulaC25H20N4O
Molecular Weight392.5
XLogP4.2
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity531
SMILES
CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5
InChI
InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
InChIKey
AZEXWHKOMMASPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CAS: 898562-94-2
CID: 11581936
Formula: C25H20N4O
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass392.16371127
Monoisotopic Mass392.16371127
Topological Polar Surface Area52.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity531
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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