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VU0467319

CAT: 0013-GTR19258206-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258206-01Size:50 mg
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Description
VU0467319 (Compound VU319) is a highly selective positive allosteric modulator of the M1 receptor, capable of crossing the blood-brain barrier and orally active, with an EC50 of 492 nM. It demonstrates selectivity in humans and rats (EC50 > 30 μM) compared to M2-5 receptors. This compound improves cognitive deficits associated with Alzheimer's disease (AD) through central M1 muscarinic receptor activation and does not induce cholinergic adverse effects, highlighting its potential in AD research.
CAS Number
1432438-14-6
Field of Research
Neuroscience
Smiles
O=C1C2=CC=CN=C2CN1CC=3C (F) =CC (=CC3F) C4=CC=CC5=NN (C=C54) C
Molecular Formula
C22H16F2N4O
Molecular Weight
390.385
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[[2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)phenyl]methyl]-6,7-dihydro-5H-Pyrrolo[3,4-b]pyridin-5-one
CAS Number1432438-14-6
PubChem CID71555143
IUPAC Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Molecular FormulaC22H16F2N4O
Molecular Weight390.4
XLogP2.9
Topological Polar Surface Area51
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity610
SMILES
CN1C=C2C(=N1)C=CC=C2C3=CC(=C(C(=C3)F)CN4CC5=C(C4=O)C=CC=N5)F
InChI
InChI=1S/C22H16F2N4O/c1-27-10-16-14(4-2-6-20(16)26-27)13-8-18(23)17(19(24)9-13)11-28-12-21-15(22(28)29)5-3-7-25-21/h2-10H,11-12H2,1H3
InChIKey
BXOIYWDPORMGDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[[2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)phenyl]methyl]-6,7-dihydro-5H-Pyrrolo[3,4-b]pyridin-5-one
CAS: 1432438-14-6
CID: 71555143
Formula: C22H16F2N4O
MW: 390.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass390.12921747
Monoisotopic Mass390.12921747
Topological Polar Surface Area51 Ų
Heavy Atom Count29
Formal Charge0
Complexity610
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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CatalogName
T206889-01VU0467319

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