Fragment of huperzine associated by a linker with tacrine
Type : Derivative of Huperzine,Derivative of Tacrine,Quinoline,Alkyl linked bis-ligand
Chemical_Nomenclature : (5R)-5-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5
InChI : InChI=1S\/C32H44N4O\/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32\/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)\/t27-\/m1\/s1
InChIKey : ROTFGKJJMRTWBD-HHHXNRCGSA-N
Other name(s) :
MW : 500.71
Formula : C32H44N4O
CAS_number :
PubChem : 5326966
UniChem : ROTFGKJJMRTWBD-HHHXNRCGSA-N
Families : (R)-Tacrine(10)-Hupyridone ligand of proteins in family
ACHE
Protein :
torca-ACHE
Title : Dimeric Tacrine(10)-hupyridone as a Multitarget-Directed Ligand To Treat Alzheimer's Disease - Xuan_2021_ACS.Chem.Neurosci_12_2462 |
Author(s) : Xuan Z , Gu X , Yan S , Xie Y , Zhou Y , Zhang H , Jin H , Hu S , Mak MSH , Zhou D , Tsim KWK , Carlier PR , Han Y , Cui W |
Ref : ACS Chem Neurosci , 12 :2462 , 2021 |
Abstract : Xuan_2021_ACS.Chem.Neurosci_12_2462 |
ESTHER : Xuan_2021_ACS.Chem.Neurosci_12_2462 |
PubMedSearch : Xuan_2021_ACS.Chem.Neurosci_12_2462 |
PubMedID: 34156230 |
Title : Crystal packing mediates enantioselective ligand recognition at the peripheral site of acetylcholinesterase - Haviv_2005_J.Am.Chem.Soc_127_11029 |
Author(s) : Haviv H , Wong DM , Greenblatt HM , Carlier PR , Pang YP , Silman I , Sussman JL |
Ref : Journal of the American Chemical Society , 127 :11029 , 2005 |
Abstract : Haviv_2005_J.Am.Chem.Soc_127_11029 |
ESTHER : Haviv_2005_J.Am.Chem.Soc_127_11029 |
PubMedSearch : Haviv_2005_J.Am.Chem.Soc_127_11029 |
PubMedID: 16076210 |
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 |
Array ( [id] => 5667 [inhibitor] => (R)-Tacrine(10)-Hupyridone [type] => Array ( [0] => Derivative of Huperzine [1] => Derivative of Tacrine [2] => Quinoline [3] => Alkyl linked bis-ligand ) [other_name] => Array ( ) [chemical_nomenclature] => (5R)-5-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one [formula] => C32H44N4O [cas_number] => [mw] => 500.71 [pick_me_to_call] => display_script [kinetic_parameter] => [paper] => Haviv_2005_J.Am.Chem.Soc_127_11029 || Fink_1995_J.Med.Chem_38_3645 || Xuan_2021_ACS.Chem.Neurosci_12_2462 [comment] => Fragment of huperzine associated by a linker with tacrine [gene_locus] => torca-ACHE [kin_inhibitor] => [cid] => 5326966 [family] => ACHE [inchikey] => ROTFGKJJMRTWBD-HHHXNRCGSA-N [canonicalsmiles] => C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5 [inchi] => InChI=1S\/C32H44N4O\/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32\/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)\/t27-\/m1\/s1 [wikipedia] => [iupharlig] => [structure] => [substrate] => [interact_gene_locus] => [mutation] => [comment2] => [extoxnet] => [news] => [theoretical_model] => )