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MAO-B inhibitor C5

CAT: 0013-GTR19242089-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242089-01Size:50 mg
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Description
C5 is a potent and selective inhibitor of monoamine oxidase B (MAO-B) . It is a valuable research tool for studying MAO-B's role in neurological disorders and is suitable for both in vitro enzyme assays and in vivo models of Parkinson's disease.
CAS Number
1230-77-9
Field of Research
Metabolism Research; Pharmacology & Drug Discovery
Smiles
O=C (C=CC1=CC=C (C=C1) N (C) C) C2=CC=C (OC) C=C2
Molecular Formula
C18H19NO2
Molecular Weight
281.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-(Dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CAS Number1230-77-9
PubChem CID5378142
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H19NO2
Molecular Weight281.3
XLogP3.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity348
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H19NO2/c1-19(2)16-9-4-14(5-10-16)6-13-18(20)15-7-11-17(21-3)12-8-15/h4-13H,1-3H3/b13-6+
InChIKey
VYCHTZRFUNDXSN-AWNIVKPZSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-(Dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CAS: 1230-77-9
CID: 5378142
Formula: C18H19NO2
MW: 281.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass281.141578849
Monoisotopic Mass281.141578849
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity348
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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