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MAO-B-IN-14

CAT: 0931-T60660-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60660-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1904610-48-5
Target
Others, Monoamine Oxidase
Related Pathways
Others, Neuroscience
Bioactivity
MAO-B-IN-14 (Compound 9) is a potent and selective monoamine oxidase-B (MAO-B) inhibitor, exhibiting an IC50 of 0.95 μM and a Ki of 0.55 μM for human MAO-B.
Smiles
C(=C/C(=O)C1=CC=C(SC)C=C1)\C2=C3C(=CC=C2)OCO3
Molecular Formula
C17H14O3S
Molecular Weight
298.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mao-B-IN-14
CAS Number1904610-48-5
PubChem CID45906922
IUPAC Name(E)-3-(1,3-benzodioxol-4-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
Molecular FormulaC17H14O3S
Molecular Weight298.4
XLogP4
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity387
SMILES
CSC1=CC=C(C=C1)C(=O)/C=C/C2=C3C(=CC=C2)OCO3
InChI
InChI=1S/C17H14O3S/c1-21-14-8-5-12(6-9-14)15(18)10-7-13-3-2-4-16-17(13)20-11-19-16/h2-10H,11H2,1H3/b10-7+
InChIKey
GKDHWOUMCGRQHR-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-14
CAS: 1904610-48-5
CID: 45906922
Formula: C17H14O3S
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass298.06636548
Monoisotopic Mass298.06636548
Topological Polar Surface Area60.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity387
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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Alternative Products

CatalogName
GTR19187808-01MAO-B-IN-14
B2919-5MAO-A/MAO-B Inhibitor
YP-W19977-01Human MAO-B (MAO-B) ELISA Kit
YP-W200865-01Mouse MAO-B (MAO-B) ELISA Kit
YP-W35915-01Rat MAO-B (MAO-B) ELISA Kit
sc-515575MAO-B (B-8)
BA8520-25MAO-B-IN-2
BA8437-1MAO-B-IN-9
HY-176271MAO-B-IN-45
HY-175523MAO-B-IN-48

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