MTDL-cpd36-diphenylacetamide
Balanced and broad activity profile (eeAChE IC50 = 2.86 mM; eqBuChE IC50 = 60 nM; hBuChE IC50 = 20 nM; hBACE1 IC50 = 5.9 mM; inhibition of Ab aggregation = 57.9% at 10 mM; mGAT1 IC50 == 10.96 mM; and mGAT2 IC50 = 19.05 mM).
General
Type : Multitarget,BACE1-inhibitor,anti-Abeta-aggregation,GABA-transporter-inhibitor,Diphenylacetamide,tert-Butyl
Chemical_Nomenclature : N-((2S,3R)-4-((3-(tert-butyl)benzyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
Canonical SMILES : C(C(N[C@@H](C(CNCC1=CC=CC(=C1)C(C)(C)C)O)CC2=CC=CC=C2)=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI : InChI=1S\/C35H40N2O2\/c1-35(2,3)30-21-13-16-27(22-30)24-36-25-32(38)31(23-26-14-7-4-8-15-26)37-34(39)33(28-17-9-5-10-18-28)29-19-11-6-12-20-29\/h4-22,31-33,36,38H,23-25H2,1-3H3,(H,37,39)\/t31-,32?\/m1\/s1
InChIKey : FDZZTBAHBJUANF-XGDNGBMYSA-N
Other name(s) : Compound 36
MW : 520.72
Formula : C35H40N2O2
CAS_number :
PubChem :
UniChem : FDZZTBAHBJUANF-XGDNGBMYSA-N
IUPHAR :
Wikipedia :
Target
Families : MTDL-cpd36-diphenylacetamide ligand of proteins in family: BCHE
Stucture :
Protein : human-BCHE
References (1)
| Title : Discovery of multifunctional anti-Alzheimers agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters - Pasieka_2021_Eur.J.Med.Chem_218_113397 |
| Author(s) : Pasieka A , Panek D , Jonczyk J , Godyn J , Szalaj N , Latacz G , Tabor J , Mezeiova E , Chantegreil F , Dias J , Knez D , Lu J , Pi R , Korabecny J , Brazzolotto X , Gobec S , Hofner G , Wanner K , Wieckowska Q , Malawska B |
| Ref : Eur Journal of Medicinal Chemistry , 218 :113397 , 2021 |
| Abstract : Pasieka_2021_Eur.J.Med.Chem_218_113397 |
| ESTHER : Pasieka_2021_Eur.J.Med.Chem_218_113397 |
| PubMedSearch : Pasieka_2021_Eur.J.Med.Chem_218_113397 |
| PubMedID: 33838585 |