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BAY-7081

CAT: 0804-HY-152106-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152106-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-7081, a chemical probe, is a potent, selective, orally active and soluble cyanopyridone-based PDE9A inhibitor with an IC50 of 15 nM[1].
CAS Number
3036022-06-4
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bay-7081.html
Purity
99.03
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=C(N(CC2)CCC32CC3)C4=C(NC1=O)C(CCC)CNC4.Cl
Molecular Formula
C19H27ClN4O
Molecular Weight
362.90
References & Citations
[1]Meibom D, et al. BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J Med Chem. 2022 Dec 22;65 (24) :16420-16431.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE9

Chemical Information

4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
CAS Number3036022-06-4
PubChem CID166642384
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
Molecular FormulaC19H27ClN4O
Molecular Weight362.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity667
SMILES
CCCC1CNCC2=C1NC(=O)C(=C2N3CCC4(CC4)CC3)C#N.Cl
InChI
InChI=1S/C19H26N4O.ClH/c1-2-3-13-11-21-12-15-16(13)22-18(24)14(10-20)17(15)23-8-6-19(4-5-19)7-9-23;/h13,21H,2-9,11-12H2,1H3,(H,22,24);1H
InChIKey
RVOZYMPVGIVNJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
CAS: 3036022-06-4
CID: 166642384
Formula: C19H27ClN4O
MW: 362.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass362.1873392
Monoisotopic Mass362.1873392
Topological Polar Surface Area68.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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