MTDL-cpd51-diphenylacetamide
General
Type : Multitarget,BACE1-inhibitor,anti-Abeta-aggregation,GABA-transporter-inhibitor,Diphenylacetamide
Chemical_Nomenclature : N-((2S,3R)-3-hydroxy-4-(neopentylamino)-1-phenylbutan-2-yl)-2,2-diphenylacetamide || 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
Canonical SMILES : C(C(N[C@@H](C(CNCC(C)(C)C)O)CC1=CC=CC=C1)=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI : InChI=1S\/C29H36N2O2\/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24\/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)\/t25-,26?\/m1\/s1 || InChI=1S\/C29H36N2O2\/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24\/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)\/p+1\/t25-,26+\/m0\/s1
InChIKey : SGKQSSMGZUXLMP-DCWQJPKNSA-N || SGKQSSMGZUXLMP-IZZNHLLZSA-O
Other name(s) : Compound 51,RNZ
MW : 444.62 || 445.62
Formula : C29H36N2O2 || C29H37N2O2
CAS_number :
PubChem : 155923722
UniChem : SGKQSSMGZUXLMP-DCWQJPKNSA-N || SGKQSSMGZUXLMP-IZZNHLLZSA-O
IUPHAR :
Wikipedia :
Target
Families : MTDL-cpd51-diphenylacetamide ligand of proteins in family: BCHE
Stucture : 7AMZ Human butyrylcholinesterase in complexe with N-((2S,3R)-3-hydr oxy-4-(neopentylamino)-1-phenylbutan-2-yl)-2,2-diphenylacetamide (51)
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 |