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MAO-B-IN-17

CAT: 0804-HY-151210-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-151210-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MAO-B-IN-17 is a selective monoamine oxidase B (MAO-B) inhibitor with the IC50 value of 5.08 μM. MAO-B-IN-17 can be used in Parkinson’s disease research[1].
CAS Number
2890188-81-3
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-17.html
Purity
99.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC1=C(C=C2CN(CCC2=C1)C3=CC(F)=CC(F)=C3)OC
Molecular Formula
C17H17F2NO2
Molecular Weight
305.32
References & Citations
[1]Makito Yamada, et al. Design, Synthesis, and Monoamine Oxidase B Selective Inhibitory Activity of N-Arylated Heliamine Analogues. ACS Med. Chem. Lett. 2022.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MAO-A; MAO-B

Chemical Information

Mao-B-IN-17
CAS Number2890188-81-3
PubChem CID165412726
IUPAC Name2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Molecular FormulaC17H17F2NO2
Molecular Weight305.32
XLogP3.7
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity361
SMILES
COC1=C(C=C2CN(CCC2=C1)C3=CC(=CC(=C3)F)F)OC
InChI
InChI=1S/C17H17F2NO2/c1-21-16-5-11-3-4-20(10-12(11)6-17(16)22-2)15-8-13(18)7-14(19)9-15/h5-9H,3-4,10H2,1-2H3
InChIKey
XZTKRGSHRFWZIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-17
CAS: 2890188-81-3
CID: 165412726
Formula: C17H17F2NO2
MW: 305.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.32
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass305.12273511
Monoisotopic Mass305.12273511
Topological Polar Surface Area21.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity361
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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