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6H6-Heptyl-Carbamate

BChE IC50 = 7 nM

General

Type : Carbamate,Derivative of Tryptamine,Indole

Chemical_Nomenclature : 3-(2-(2-(phenylamino)benzamido)ethyl)-1H-indol-5-yl heptylcarbamate

Canonical SMILES : C(CCCCCNC(=O)OC1=CC=C2C(=C1)C(=C[N]2)CCNC(=O)C3=C(C=CC=C3)NC4=CC=CC=C4)C

InChI : InChI=1S\/C31H36N4O3\/c1-2-3-4-5-11-19-33-31(37)38-25-16-17-28-27(21-25)23(22-34-28)18-20-32-30(36)26-14-9-10-15-29(26)35-24-12-7-6-8-13-24\/h6-10,12-17,21-22,34-35H,2-5,11,18-20H2,1H3,(H,32,36)(H,33,37)

InChIKey : CCNLRHQAAYZHAN-UHFFFAOYSA-N

Other name(s) :

MW : 512.65

Formula : C31H34N4O3

CAS_number :

PubChem :

UniChem : CCNLRHQAAYZHAN-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : 6H6-Heptyl-Carbamate ligand of proteins in family: BCHE

Stucture :

Protein : human-BCHE

References (1)

Title : Carbamate-based N-Substituted tryptamine derivatives as novel pleiotropic molecules for Alzheimer's disease - Zhang_2022_Bioorg.Chem_125_105844
Author(s) : Zhang H , Wang Y , Liu D , Li J , Feng Y , Lu Y , Yin G , Li Z , Shi T , Wang Z
Ref : Bioorg Chem , 125 :105844 , 2022
Abstract : Zhang_2022_Bioorg.Chem_125_105844
ESTHER : Zhang_2022_Bioorg.Chem_125_105844
PubMedSearch : Zhang_2022_Bioorg.Chem_125_105844
PubMedID: 35594720