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Mardepodect (hydrochloride) (Standard)

CAT: 0804-HY-50098AR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-50098AR-01Size:5 mg
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Description
Mardepodect (hydrochloride) (Standard) is the analytical standard of Mardepodect (hydrochloride) . This product is intended for research and analytical applications. Mardepodect hydrochloride (PF-2545920 hydrochloride) is a potent, orally active and selective PDE10A inhibitor with an IC50 of 0.37 nM, with >1000-fold selectivity over other PDEs. Mardepodect hydrochloride can cross the blood-brain barrier[1][2].
CAS Number
2070014-78-5
UNSPSC
12352100
Target
Phosphodiesterase (PDE) ; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
CN1N=C(C2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C(C5=CC=NC=C5)=C1.Cl[H]
Molecular Formula
C25H21ClN4O
Molecular Weight
428.91
References & Citations
[1]Wilson JM et al. Phosphodiesterase 10A inhibitor, MP-10 (PF-2545920), produces greater induction of c-Fos in D2 neurons than in D1 neurons in the neostriatum. Neuropharmacology. 2015 Dec;99:379-86.|[2]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 Aug 27;52 (16) :5188-96.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Mardepodect hydrochloride
CAS Number2070014-78-5
PubChem CID122412737
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydrochloride
Molecular FormulaC25H21ClN4O
Molecular Weight428.9
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity531
SMILES
CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.Cl
InChI
InChI=1S/C25H20N4O.ClH/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;1H
InChIKey
BDHTXAXWOXYUDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mardepodect hydrochloride
CAS: 2070014-78-5
CID: 122412737
Formula: C25H21ClN4O
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass428.1403890
Monoisotopic Mass428.1403890
Topological Polar Surface Area52.8 Ų
Heavy Atom Count31
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 Count2
Compound Is CanonicalizedYes

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