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(S,S)-(-)-bis(10)-hupyridone

two fragments of huperzine associated by a linker

General

Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand

Chemical_Nomenclature : (5S)-5-[10-[[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Canonical SMILES : C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4

InChI : InChI=1S\/C28H42N4O2\/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26\/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)\/t23-,24-\/m0\/s1

InChIKey : CKFAWHBPSZAYLS-ZEQRLZLVSA-N

Other name(s) : CHEMBL483090,BDBM10439

MW : 466.65

Formula : C28H42N4O2

CAS_number :

PubChem : 445974

UniChem : CKFAWHBPSZAYLS-ZEQRLZLVSA-N

IUPHAR :

Wikipedia :

Target

Families : (S,S)-(-)-bis(10)-hupyridone ligand of proteins in family: ACHE

Stucture : 1H22 Acetylcholinesterase complexed with (S,S)-(-)-Bis(10)-Hupyridone at 2.15 A resolution

Protein : torca-ACHE

References (2)

Title : Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity - Wong_2003_J.Am.Chem.Soc_125_363
Author(s) : Wong DM , Greenblatt HM , Dvir H , Carlier PR , Han YF , Pang YP , Silman I , Sussman JL
Ref : J Am Chem Soc , 125 :363 , 2003
Abstract : Wong_2003_J.Am.Chem.Soc_125_363
ESTHER : Wong_2003_J.Am.Chem.Soc_125_363
PubMedSearch : Wong_2003_J.Am.Chem.Soc_125_363
PubMedID: 12517147
Gene_locus related to this paper: torca-ACHE

Title : Synthesis and evaluation of 5-amino-5,6,7,8-tetrahydroquinolinones as potential agents for the treatment of Alzheimer's disease - Fink_1995_J.Med.Chem_38_3645
Author(s) : Fink DM , Bores GM , Effland RC , Huger FP , Kurys BE , Rush DK , Selk DE
Ref : Journal of Medicinal Chemistry , 38 :3645 , 1995
Abstract : Fink_1995_J.Med.Chem_38_3645
ESTHER : Fink_1995_J.Med.Chem_38_3645
PubMedSearch : Fink_1995_J.Med.Chem_38_3645
PubMedID: 7658452