TZ2PIQA5

General

Type : Acridine, Quinoline, Derivative of Tacrine, Alkyl linked bis-ligand, Triazol

Chemical_Nomenclature : N-[2-[5-[5-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine || N-[2-[5-[5-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

Canonical SMILES : COC1=C(C=C2C(N(CCC2=C1)CCCCCC3=CN=NN3CCNC4=C5CCCCC5=NC6=CC=CC=C64)C7=CC=CC=C7)OC

InChI : InChI=1S\/C39H46N6O2\/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38\/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)\/t39-\/m0\/s1 || InChI=1S\/C39H46N6O2\/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38\/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)\/t39-\/m1\/s1

InChIKey : ITAOAYUEHIWYBK-KDXMTYKHSA-N || ITAOAYUEHIWYBK-LDLOPFEMSA-N

Other name(s) : CHEMBL4246013  ||  BDBM50462581  ||  CHEMBL4243833  ||  BDBM50462577


MW : 630.8

Formula : C39H46N6O2

CAS_number :

PubChem : 11262146,    11204419

UniChem : ITAOAYUEHIWYBK-KDXMTYKHSA-N,    ITAOAYUEHIWYBK-LDLOPFEMSA-N

Target

Families : TZ2PIQA5 ligand of proteins in family
ACHE

Protein :
mouse-ACHE

References (1)

Title : Probing gorge dimensions of cholinesterases by freeze-frame click chemistry - Radic_2008_Chem.Biol.Interact_175_161
Author(s) : Radic Z , Manetsch R , Fournier D , Sharpless KB , Taylor P
Ref : Chemico-Biological Interactions , 175 :161 , 2008
Abstract :
PubMedSearch : Radic_2008_Chem.Biol.Interact_175_161
PubMedID: 18555981