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MAO-B-IN-15

CAT: 0804-HY-151209Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-151209Size:1 Each
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Description
MAO-B-IN-15 is a selective MAO-B inhibitor (IC50: 13.5 μM) that forms π-π interaction with Tyr 326 residue. MAO-B-IN-15 can be used in the research of Parkinson’s disease[1].
CAS Number
2032436-79-4
UNSPSC
12352005
Target
Monoamine Oxidase
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mao-b-in-15.html
Solubility
10 mM in DMSO
Smiles
COC1=CC2=C(C=C1OC)CCN(C3=CC=C(F)C=C3)C2
Molecular Formula
C17H18FNO2
Molecular Weight
287.33
References & Citations
[1]Makito Yamada, et al. Design, Synthesis, and Monoamine Oxidase B Selective Inhibitory Activity of N-Arylated Heliamine Analogues. https://doi.org/10.1021/acsmedchemlett.2c00228.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MAO-A; MAO-B

Chemical Information

Mao-B-IN-15
CAS Number2032436-79-4
PubChem CID165412602
IUPAC Name2-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Molecular FormulaC17H18FNO2
Molecular Weight287.33
XLogP3.6
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity333
SMILES
COC1=C(C=C2CN(CCC2=C1)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C17H18FNO2/c1-20-16-9-12-7-8-19(11-13(12)10-17(16)21-2)15-5-3-14(18)4-6-15/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey
JAINUECTMBLRLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-15
CAS: 2032436-79-4
CID: 165412602
Formula: C17H18FNO2
MW: 287.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.33
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass287.13215698
Monoisotopic Mass287.13215698
Topological Polar Surface Area21.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity333
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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