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MAO-B-IN-34

CAT: 0804-HY-168138Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-168138Size:1 Each
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Description
MAO-B-IN-34 (compund 3d) is a monoamine oxidase MAO-B inhibitor[1].
CAS Number
86710-21-6
UNSPSC
12352005
Target
Monoamine Oxidase
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mao-b-in-34.html
Smiles
O=C(/C=C/C1=CC=C(Cl)C(Cl)=C1)C2=CC=C([N+]([O-])=O)C=C2
Molecular Formula
C15H9Cl2NO3
Molecular Weight
322.14
References & Citations
[1]Meleddu R, et al. Exploring the 1- (4-Nitrophenyl) -3-arylprop-2-en-1-one Scaffold for the Selective Inhibition of Monoamine Oxidase B. ACS Med Chem Lett. 2024 Sep 27;15 (10) :1685-1691.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,4-Dichloro-4'-nitrochalcone
CAS Number86710-21-6
PubChem CID6297637
IUPAC Name(E)-3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.1
XLogP4.8
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H9Cl2NO3/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(6-4-11)18(20)21/h1-9H/b8-2+
InChIKey
VBSFJEXNLVCUPB-KRXBUXKQSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dichloro-4'-nitrochalcone
CAS: 86710-21-6
CID: 6297637
Formula: C15H9Cl2NO3
MW: 322.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.1
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.9959485
Monoisotopic Mass320.9959485
Topological Polar Surface Area62.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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