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Bis(Uracilyl)Alkane-cpd2b

AChE IC50 64.9 +/- 35 pM; BChE IC50 219 +/- 50 microM

General

Type : Uracil derivative, Ammonium, Cyanide

Chemical_Nomenclature : 1,4-{(3,6-Dimethyluracil-1-yl)-[3-(5-o-nitrilebenzyl(diethyl)ammonio)pentyl)-uracil-1-yl]}butane bromide

Canonical SMILES : N1(C(C=C(N(C1=O)CCCCN2C(N(C(C=C2)=O)CCCCC[N+](CC)(CC3=C(C=CC=C3)C#N)CC)=O)C)=O)C.[Br-]

InChI : InChI=1S\/C31H43N6O4.BrH\/c1-5-37(6-2,24-27-15-9-8-14-26(27)23-32)21-13-7-10-19-36-28(38)16-20-34(31(36)41)17-11-12-18-35-25(3)22-29(39)33(4)30(35)40\;\/h8-9,14-16,20,22H,5-7,10-13,17-19,21,24H2,1-4H3\;1H\/q+1\;\/p-1

InChIKey : YDRUJEXIQOJIIK-UHFFFAOYSA-M

Other name(s) : compound 2b

MW : 643.622

Formula : C31H43BrN6O4

CAS_number :

PubChem :

UniChem : YDRUJEXIQOJIIK-UHFFFAOYSA-M

Target

Families : Bis(Uracilyl)Alkane-cpd2b ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

Title : Ionic and Non-Ionic Counterparts Based on Bis(Uracilyl)Alkane Moiety with Highest Selectivity Towards Acetylcholinesterase for Protection Against Organophosphate Poisoning and Treating Alzheimer's Disease - Zueva_2025_Int.J.Mol.Sci_26_3759
Author(s) : Zueva IV , Saifina LF , Gubaidullina LM , Shulaeva MM , Kharlamova AD , Lenina OA , Belyaev GP , Ziganshina AY , Gao S , Tang W , Semenov VE , Petrov KA
Ref : Int J Mol Sci , 26 :3759 , 2025
Abstract :
PubMedSearch : Zueva_2025_Int.J.Mol.Sci_26_3759
PubMedID: 40332440