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MAO-B-IN-21

CAT: 0931-T74860-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T74860-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2956426-18-7
Target
Monoamine Oxidase
Related Pathways
Neuroscience
Bioactivity
MAO-B-IN-21 is an MAO-B inhibitor characterized by superior antioxidant and anti-Aβ aggregation activities, metal-ion chelating capabilities, and mitigation of neuroinflammation (NO, TNF-α) . It demonstrates neuroprotective effects with notable BBB permeability and, in an Aβ1-42 induced Alzheimer's disease mouse model, significantly enhances memory and cognitive functions [1].
Molecular Formula
C24H25ClN2O4
Molecular Weight
440.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(5-chloro-2-hydroxyphenyl)-2-(1-heptyl-3-oxo-1H-2-benzofuran-5-yl)-1H-pyrazol-3-one
CAS Number2956426-18-7
PubChem CID170901792
IUPAC Name5-(5-chloro-2-hydroxyphenyl)-2-(1-heptyl-3-oxo-1H-2-benzofuran-5-yl)-1H-pyrazol-3-one
Molecular FormulaC24H25ClN2O4
Molecular Weight440.9
XLogP6.3
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity699
SMILES
CCCCCCCC1C2=C(C=C(C=C2)N3C(=O)C=C(N3)C4=C(C=CC(=C4)Cl)O)C(=O)O1
InChI
InChI=1S/C24H25ClN2O4/c1-2-3-4-5-6-7-22-17-10-9-16(13-18(17)24(30)31-22)27-23(29)14-20(26-27)19-12-15(25)8-11-21(19)28/h8-14,22,26,28H,2-7H2,1H3
InChIKey
CSGCUKIUVYJPNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(5-chloro-2-hydroxyphenyl)-2-(1-heptyl-3-oxo-1H-2-benzofuran-5-yl)-1H-pyrazol-3-one
CAS: 2956426-18-7
CID: 170901792
Formula: C24H25ClN2O4
MW: 440.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass440.1502850
Monoisotopic Mass440.1502850
Topological Polar Surface Area78.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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