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MAO-B-IN-6

CAT: 0804-HY-115987Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-115987Size:1 Each
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Description
MAO-B-IN-6 is a potent, selective and orally active MAO-B inhibitor with an IC50 of 0.019 μM. MAO-B-IN-6 shows more efficacious than Safinamide in vitro and in vivo. MAO-B-IN-6 has the potential for the research of parkinson's disease (PD) [1].
CAS Number
2376198-66-0
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-6.html
Solubility
10 mM in DMSO
Smiles
O=C([C@H]1N(CC2=CC=C(OCC3=CC=CC(F)=C3)C=C2)C[C@@H](F)C1)N
Molecular Formula
C19H20F2N2O2
Molecular Weight
346.37
References & Citations
[1]Wang Z, et al. Enhancing monoamine oxidase B inhibitory activity via chiral fluorination: Structure-activity relationship, biological evaluation, and molecular docking study. Eur J Med Chem. 2022; 228:114025.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MAO-A; MAO-B

Chemical Information

Mao-B-IN-6
CAS Number2376198-66-0
PubChem CID139480631
IUPAC Name(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC19H20F2N2O2
Molecular Weight346.4
XLogP2.8
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
C1[C@@H](CN([C@@H]1C(=O)N)CC2=CC=C(C=C2)OCC3=CC(=CC=C3)F)F
InChI
InChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m0/s1
InChIKey
LQAIMOYHJBOUSX-WMZOPIPTSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-6
CAS: 2376198-66-0
CID: 139480631
Formula: C19H20F2N2O2
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass346.14928421
Monoisotopic Mass346.14928421
Topological Polar Surface Area55.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19184441-01MAO-B-IN-6
GTR19260871-01AChE/MAO-B-IN-6
sc-515354MAO-B (D-6)
B2919-5MAO-A/MAO-B Inhibitor
sc-515354 HRPMAO-B (D-6) HRP
sc-515354 PMAO-B (D-6) P
sc-515354 ACMAO-B (D-6) AC
sc-515354 FITCMAO-B (D-6) FITC
sc-515354 PEMAO-B (D-6) PE
T205280-01MAO-IN-6

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