Benzylpyrrolidin-methyl-N-methylnaphthalene-2-sulfonamide-(R)-(-)-3
Optimized compound from compound 2 5DYW-5hf from Kosak 2016 pyrrolidine replaces piperidine with a 7-fold higher in vivo brain exposure IC50 hBCHE 6.6 nM
General
Type : Pyrrolidine, Derivative of Donepezil, Sulfur Compound, Sulfonamide, Naphthalen
Chemical_Nomenclature : N-((1-Benzylpyrrolidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide
Canonical SMILES : C1=CC=CC(=C1)CN2C[C@@H](CC2)CN([S](=O)(=O)C3=CC4=C(C=C3)C=CC=C4)C
InChI : 1S\/C23H26N2O2S\/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23\/h2-12,15,20H,13-14,16-18H2,1H3\/t20-\/m0\/s1
InChIKey : FNPKLEUPADIGIY-FQEVSTJZSA-N
Other name(s) :
-(-)-3.gif)
Target
Structure :
9I03
References (1)
| Title : Lead Optimization of a Butyrylcholinesterase Inhibitor for the Treatment of Alzheimer's Disease - Kosak_2025_J.Med.Chem__ |
| Author(s) : Kosak U , Strasek Benedik N , Knez D , Zakelj S , Trontelj J , Pislar A , Horvat S , Bolje A , Znidarsic N , Grgurevic N , Svara T , Kljun J , Skrzypczak-Wiercioch A , Lv B , Xiong Y , Wang Q , Bian R , Shao J , Dias J , Nachon F , Brazzolotto X , Stojan J , Sun H , Salat K , Gobec S |
| Ref : Journal of Medicinal Chemistry , : , 2025 |
| Abstract : |
| PubMedSearch : Kosak_2025_J.Med.Chem__ |
| PubMedID: 40454648 |
| Gene_locus related to this paper: human-BCHE |