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CAY10680

CAT: 0013-GTR19190693-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190693-01Size:5 mg
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Description
CAY10680 is a dual-targeted research compound that selectively inhibits monoamine oxidase B (MAO-B) and adenosine A2A receptors. This dual action, which spares dopamine metabolism and enhances D2 receptor signaling, supports its investigation in Parkinson's disease research using both in vitro and in vivo experimental models.
CAS Number
1439488-21-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1C=2C (N=C (NC (CCCC3=CC=CC=C3) =O) S1) =CC=CC2
Molecular Formula
C18H16N2O2S
Molecular Weight
324.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CAS Number1439488-21-7
PubChem CID71680733
IUPAC NameN-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
Molecular FormulaC18H16N2O2S
Molecular Weight324.4
XLogP3.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
C1=CC=C(C=C1)CCCC(=O)NC2=NC3=CC=CC=C3C(=O)S2
InChI
InChI=1S/C18H16N2O2S/c21-16(12-6-9-13-7-2-1-3-8-13)20-18-19-15-11-5-4-10-14(15)17(22)23-18/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)
InChIKey
QMBOZLGNPMVERZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CAS: 1439488-21-7
CID: 71680733
Formula: C18H16N2O2S
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass324.09324893
Monoisotopic Mass324.09324893
Topological Polar Surface Area83.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
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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