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MAO-B-IN-35

CAT: 0804-HY-116765Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116765Size:1 Each
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Description
MAO-B-IN-35 is a potent, selective, reversible monoamine oxidase B (MAO-B) inhibitor with high inhibitory activity. MAO-B-IN-35 can exhibit high selectivity and potency at a small molecule scale. MAO-B-IN-35 is designed and synthesized so that it can be efficiently obtained during standard synthesis procedures and has superior physical and chemical properties[1].
CAS Number
1619884-75-1
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mao-b-in-35.html
Smiles
ClC1=CC=C(/N=C/C2=CC3=C(NN=C3)C=C2)C=C1Cl
Molecular Formula
C14H9Cl2N3
Molecular Weight
290.15
References & Citations
[1]Indazole- and indole-5-carboxamides: selective and reversible monoamine oxidase B inhibitors with subnanomolar potency
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

MAO-B Inhibitor 58
CAS Number1619884-75-1
PubChem CID77844723
IUPAC NameN-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)methanimine
Molecular FormulaC14H9Cl2N3
Molecular Weight290.1
XLogP4.1
Topological Polar Surface Area41
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity337
SMILES
C1=CC2=C(C=C1C=NC3=CC(=C(C=C3)Cl)Cl)C=NN2
InChI
InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)
InChIKey
ODHPFVFFVLSYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MAO-B Inhibitor 58
CAS: 1619884-75-1
CID: 77844723
Formula: C14H9Cl2N3
MW: 290.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.1
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass289.0173527
Monoisotopic Mass289.0173527
Topological Polar Surface Area41 Ų
Heavy Atom Count19
Formal Charge0
Complexity337
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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