Name: Multitarget AD inhibitor-1
Rating: 5 (10 reviews)

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HIT ID:HIT214323174
Cas No:2205015-77-4
常用名:Multitarget AD inhibitor-1
IUPAC:(3-{[(3-tert-butylphenyl)methyl]amino}-2-hydroxypropyl)(3,3-diphenylpropyl)amine
IUPAC:(3-{[(3-tert-butylphenyl)methyl]amino}-2-hydroxypropyl)(3,3-diphenylpropyl)amine
InChI key:QEVPSMYJQDNACG-UHFFFAOYSA-N

分子式:C29H38N2O
分子量:430.636
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1
SMILES:CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1

Multitarget AD inhibitor-1 is a reversible and selective inhibitor of butyrylcholinesterase (BuChE) with IC50 values of 7.22 μM and 1.55 μM for human BuChE (hBuChE) and equine serum BuChE (eqBuChE), respectively. Additionally, it exhibits inhibitory activity towards β-secretase (IC50 value of 41.60 μM), amyloid β aggregation (IC50 value of 3.09 μM), and tau aggregation. As a diphenylpropylamine derivative, Multitarget AD inhibitor-1 holds promise for research pertaining to the multifunctional, disease-modifying treatment of Alzheimer's disease.

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