N-ammoniooctyl-tacrine
General
Type : Derivative of Tacrine,Acridine
Chemical_Nomenclature : 8-(1,2,3,4-tetrahydroacridin-10-ium-9-ylamino)octylazanium
Canonical SMILES : C1CCC2=[NH+]C3=CC=CC=C3C(=C2C1)NCCCCCCCC[NH3+]
InChI : InChI=1S\/C21H31N3\/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21\/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)\/p+2
InChIKey : LFBAUYQQFKFFCF-UHFFFAOYSA-P
Other name(s) : A8N,AC1NR9X9,DB04617,8-(1,2,3,4-tetrahydroacridin-10-ium-9-ylamino)octylazanium
MW : 327.50
Formula : C21H33N3+2
CAS_number :
PubChem : 5287586
UniChem : LFBAUYQQFKFFCF-UHFFFAOYSA-P
IUPHAR :
Wikipedia :
Target
Families : N-ammoniooctyl-tacrine ligand of proteins in family: ACHE
Stucture : 1UT6 Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8-diaminooctane at 2.4 angstroms resolution
Protein : torca-ACHE
References (1)
| Title : Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge - Rydberg_2006_J.Med.Chem_49_5491 |
| Author(s) : Rydberg EH , Brumshtein B , Greenblatt HM , Wong DM , Shaya D , Williams LD , Carlier PR , Pang YP , Silman I , Sussman JL |
| Ref : Journal of Medicinal Chemistry , 49 :5491 , 2006 |
| Abstract : Rydberg_2006_J.Med.Chem_49_5491 |
| ESTHER : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedSearch : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedID: 16942022 |
| Gene_locus related to this paper: torca-ACHE |