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MAO-B-IN-13

CAT: 0931-T60650-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60650-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2105918-34-9
Target
Others, Monoamine Oxidase
Related Pathways
Neuroscience, Others
Bioactivity
MAO-B-IN-13 (compound 12a) is a highly potent, reversible, and blood-brain barrier (BBB) penetrant MAO-B inhibitor (IC50 = 10 nM) that exhibits neuroprotective and antioxidant activity, making it suitable for Parkinson's disease research [1].
Smiles
C(=C/C1=CC=C(O)C=C1)\C2=C3C(=C(C)N=C2)OC(C)(C)OC3
Molecular Formula
C18H19NO3
Molecular Weight
297.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mao-B-IN-13
CAS Number2105918-34-9
PubChem CID164886618
IUPAC Name4-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol
Molecular FormulaC18H19NO3
Molecular Weight297.3
XLogP3.3
Topological Polar Surface Area51.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity401
SMILES
CC1=NC=C(C2=C1OC(OC2)(C)C)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C18H19NO3/c1-12-17-16(11-21-18(2,3)22-17)14(10-19-12)7-4-13-5-8-15(20)9-6-13/h4-10,20H,11H2,1-3H3/b7-4+
InChIKey
VGWOEAXBGYNGIU-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-13
CAS: 2105918-34-9
CID: 164886618
Formula: C18H19NO3
MW: 297.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass297.13649347
Monoisotopic Mass297.13649347
Topological Polar Surface Area51.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity401
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
MBS5803374MAO-B-IN-13
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)
M37657-01MAO-B-IN-5
M35454-01MAO-B-IN-9
BA8520-25MAO-B-IN-2
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