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Tacrine-pyridinealdoxime-1

General

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

Chemical_Nomenclature : 7.2.8. 2-[1-(Hydroxyimino)methyl]-6-{4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]butyl}pyridin-3-ol, (2E)-2-[(hydroxyamino)methylidene]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-one

Canonical SMILES : C3CCC2=NC1=CC=CC=C1C(=C2C3)NCCCCC4=NC(=CNO)C(=O)C=C4 || ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O || C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCC4=NC(=CNO)C(=O)C=C4

InChI : InChI=1S\/C23H26N4O2\/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23\/h1,3,8,10,12-13,15,25,29H,2,4-7,9,11,14H2,(H,24,27),    InChI=1S\/C23H26N4O2\/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23\/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)\/b25-15+,    InChI=1S\/C23H26N4O2\/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23\/h1,3,8,10,12-13,15,25,29H,2,4-7,9,11,14H2,(H,24,27)\/b21-15+

InChIKey : YQHRRIODIOINAV-UHFFFAOYSA-N,    WBLSVMZKFSZDDW-MFKUBSTISA-N,    YQHRRIODIOINAV-RCCKNPSSSA-N

Other name(s) : CHEMBL3234588  ||  ZINC000169310262  ||  SCHEMBL16712057  ||  SCHEMBL18487408

MW :

Formula : C23H27N4O2

CAS_number :

PubChem : 90654886

UniChem : YQHRRIODIOINAV-UHFFFAOYSA-N,    WBLSVMZKFSZDDW-MFKUBSTISA-N,    YQHRRIODIOINAV-RCCKNPSSSA-N

Target

Structure : 6G4O, 6FLD

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