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PQCA

CAT: 0013-GTR19205081-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205081-01Size:1 mg
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Description
PQCA is a highly selective positive allosteric modulator of the muscarinic M1 receptor, exhibiting EC50 values of 49 nM (rhesus) and 135 nM (human) . It shows promise in preclinical research for addressing cognitive deficits, such as those in Alzheimer's disease models, and is inactive at other muscarinic receptor subtypes.
CAS Number
1144504-35-7
Product Name Alternative
MAChR, PQCA
Field of Research
Neuroscience
Purity
98.95% (May vary between batches)
Solubility
DMSO:< 1 mg/mL (insoluble or slightly soluble)
Smiles
OC (=O) c1cc (CN2CCC (CC2) (C#N) c2ccccn2) c2ccccn2c1=O
Molecular Formula
C22H20N4O3
Molecular Weight
388.42
Storage Conditions
-20°C
Notes
For research use only.

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
BA5504-5PQCA

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