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PQCA

CAT: 1410-M33074-01Size: 1 EachDry Ice: NoHazardous: No
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Description
PQCA is a muscarinic M1 receptor-positive allosteric regulator, which is highly selective and effective. PQCA exhibited EC50 values of 49 nM in rhesus monkey and 135 nM in human M1 receptors, but showed no activity against other muscarinic receptors. PQCA is a potential compound for reducing cognitive deficits associated with Alzheimer's disease.
CAS Number
1144504-35-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
388.42
Molecular Formula
C22H20N4O3
Notes
Research use only, not for human use.
Receptor
AChR

Chemical Information

1-((4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl)-4-oxo-4H-quinolizine-3-carboxylic acid

structure in first source

CAS Number1144504-35-7
PubChem CID25229646
IUPAC Name1-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
Molecular FormulaC22H20N4O3
Molecular Weight388.4
XLogP-0.6
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity881
SMILES
C1CN(CCC1(C#N)C2=CC=CC=N2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O
InChI
InChI=1S/C22H20N4O3/c23-15-22(19-6-1-3-9-24-19)7-11-25(12-8-22)14-16-13-17(21(28)29)20(27)26-10-4-2-5-18(16)26/h1-6,9-10,13H,7-8,11-12,14H2,(H,28,29)
InChIKey
RJTJRVASUFIDQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl)-4-oxo-4H-quinolizine-3-carboxylic acid
CAS: 1144504-35-7
CID: 25229646
Formula: C22H20N4O3
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass388.15354051
Monoisotopic Mass388.15354051
Topological Polar Surface Area97.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity881
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

Alternative Products

CatalogName
GTR19205081-01PQCA

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