Tacrine-pyridinealdoxime-2

General

Type : Oxime, Pyridine-aldoxime, Uncharged Oxime, Derivative of Tacrine, Acridine

Chemical_Nomenclature : 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(hydroxyamino)methylidene]pyridin-3-one

Canonical SMILES : C1CCC2=NC3=C(C=C(C=C3)Cl)C(=C2C1)NCCCCC4=NC(=CNO)C(=O)C=C4

InChI : InChI=1S\/C23H25ClN4O2\/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30\/h8-11,13-14,26,30H,1-7,12H2,(H,25,28)

InChIKey : AEGVBHAVNJPGMI-UHFFFAOYSA-N,    ZLZVGRFUOYNPFA-UHFFFAOYSA-N,    ZLZVGRFUOYNPFA-KGENOOAVSA-N

Other name(s) : 6-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino)butyl)-3-hydroxypicolinaldehyde oxime  ||  SCHEMBL16739350  ||  SCHEMBL18065467  ||  SCHEMBL18086633


MW : 424.92

Formula : C23H25ClN4O2

CAS_number :

PubChem : 131749942

UniChem : AEGVBHAVNJPGMI-UHFFFAOYSA-N,    ZLZVGRFUOYNPFA-UHFFFAOYSA-N,    ZLZVGRFUOYNPFA-KGENOOAVSA-N

Target

Structure : 6FQN, 6G4P, 6G4N

Families : No family

References (2)

Title : Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents - Santoni_2018_J.Med.Chem_61_7630
Author(s) : Santoni G , de Sousa J , De la Mora E , Dias J , Jean L , Sussman JL , Silman I , Renard PY , Brown RCD , Weik M , Baati R , Nachon F
Ref : Journal of Medicinal Chemistry , 61 :7630 , 2018
Abstract :
PubMedSearch : Santoni_2018_J.Med.Chem_61_7630
PubMedID: 30125110
Gene_locus related to this paper: torca-ACHE

Title : Design, synthesis and biological evaluation of novel tetrahydroacridine pyridine- aldoxime and -amidoxime hybrids as efficient uncharged reactivators of nerve agent-inhibited human acetylcholinesterase - Kliachyna_2014_Eur.J.Med.Chem_78C_455
Author(s) : Kliachyna M , Santoni G , Nussbaum V , Renou J , Sanson B , Colletier JP , Arboleas M , Loiodice M , Weik M , Jean L , Renard PY , Nachon F , Baati R
Ref : Eur Journal of Medicinal Chemistry , 78C :455 , 2014
Abstract :
PubMedSearch : Kliachyna_2014_Eur.J.Med.Chem_78C_455
PubMedID: 24704618