(S,S)-(-)-bis(12)-hupyridone

General

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

Chemical_Nomenclature : (5S)-5-[12-[[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]amino]dodecylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Canonical SMILES : C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4

InChI : InChI=1S\/C30H46N4O2\/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28\/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)\/t25-,26-\/m0\/s1

InChIKey : VFFGYPZORQBRNM-UIOOFZCWSA-N

Other name(s) : (S,S)-(-)-bis(12)-hupyridone  ||  E12  ||  (s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride  ||  AC1L9IVX  ||  D09DJX  ||  CHEMBL519154


MW : 494.72

Formula : C30H46N4O2

CAS_number :

PubChem : 445975

UniChem : VFFGYPZORQBRNM-UIOOFZCWSA-N

Target

Families : (S,S)-(-)-bis(12)-hupyridone ligand of proteins in family
ACHE

Structure :
1H23

Protein :
torca-ACHE

References (3)

Title : Promising tacrine\/huperzine A-based dimeric acetylcholinesterase inhibitors for neurodegenerative disorders: From relieving symptoms to modifying diseases through multitarget - Mak_2021_J.Neurochem__
Author(s) : Mak S , Li W , Fu H , Luo J , Cui W , Hu S , Pang Y , Carlier PR , Tsim KWK , Pi R , Han Y
Ref : Journal of Neurochemistry , : , 2021
Abstract :
PubMedSearch : Mak_2021_J.Neurochem__
PubMedID: 33930191

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 :
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 :
PubMedSearch : Fink_1995_J.Med.Chem_38_3645
PubMedID: 7658452