(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
IUPHAR :
Wikipedia :
-(-)-bis(12)-hupyridone.gif)
Target
Families : (S,S)-(-)-bis(12)-hupyridone ligand of proteins in family: ACHE
Stucture : 1H23 Acetylcholinesterase complexed with (S,S)-(-)-Bis(12)-Hupyridone at 2.15 A resolution
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 : Mak_2021_J.Neurochem__ |
| ESTHER : Mak_2021_J.Neurochem__ |
| 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 : 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 |