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Chemical structure of hMAO-B-IN-4

GC69234

hMAO-B-IN-4

Also known as (E)-3-(4-phenylmethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one

hMAO-B-IN-4 (compound B10) is a selective, reversible, and BBB-penetrable inhibitor of human monoamine oxidase-B (hMAO-B), with IC50 and Ki values of 0·067 and 0·03 μM, respectively· The IC50 value for hMAO-A inhibition by hMAO-B-IN-4 is 33·82 μM· hMAO-B-IN-4 can be used in research on Alzheimer's disease and Parkinson's disease

ChemicalCAS1666119-75-0MW320.4FormulaC20H16O2S
CAS number
1666119-75-0
Molecular weight
320.4
Formula
C20H16O2S
Solubility
DMSO ： 50 mg/mL (156·05 mM; Need ultrasonic)
InChIKey
MKSMRBDQELHEBO-JLHYYAGUSA-N
Catalogue number
GC69234
Brand
GLPBIO
Computed properties PubChem CID 5344692 · XLogP 5.2 · TPSA 54.5 Ų · H-bond donors 0
XLogP
5.2
TPSA
54.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23

SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CS3

Computed descriptors from PubChem (CID 5344692), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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