Ortho-7
General
Type : Oxime, Bisoxime, Bispyridinium, Pyridine-aldoxime
Chemical_Nomenclature : oxo-[(Z)-[1-[7-[(2E)-2-(oxoazaniumylmethylidene)pyridin-1-yl]heptyl]pyridin-2-ylidene]methyl]azanium
Canonical SMILES : C1=CC(=C[NH+]=O)N(C=C1)CCCCCCCN2C=CC=CC2=C[NH+]=O
InChI : InChI=1S\/C19H24N4O2\/c24-20-16-18-10-4-8-14-22(18)12-6-2-1-3-7-13-23-15-9-5-11-19(23)17-21-25\/h4-5,8-11,14-17H,1-3,6-7,12-13H2\/p+2\/b18-16-,19-17+
InChIKey : NJSMUQMHXZRXQC-JQNBNMKOSA-P
Other name(s) : 1,7-heptylene-bis-N,N'-2-pyridiniumaldoxime
MW : 342.44
Formula : C19H26N4O2-2+
CAS_number :
PubChem : 11966322
UniChem : NJSMUQMHXZRXQC-JQNBNMKOSA-P
References (7)
| Title : Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation - Pathak_2014_Proteins_82_1799 |
| Author(s) : Pathak AK , Bandyopadhyay T |
| Ref : Proteins , 82 :1799 , 2014 |
| Abstract : |
| PubMedSearch : Pathak_2014_Proteins_82_1799 |
| PubMedID: 24549829 |
| Title : Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesterase - Sinha_2012_PLoS.One_7_e40188 |
| Author(s) : Sinha V , Ganguly B , Bandyopadhyay T |
| Ref : PLoS ONE , 7 :e40188 , 2012 |
| Abstract : |
| PubMedSearch : Sinha_2012_PLoS.One_7_e40188 |
| PubMedID: 22808117 |
| Title : Kinetic analysis of interactions between alkylene-linked bis-pyridiniumaldoximes and human acetylcholinesterases inhibited by various organophosphorus compounds - Wille_2010_Biochem.Pharmacol_80_941 |
| Author(s) : Wille T , Ekstrom F , Lee JC , Pang YP , Thiermann H , Worek F |
| Ref : Biochemical Pharmacology , 80 :941 , 2010 |
| Abstract : |
| PubMedSearch : Wille_2010_Biochem.Pharmacol_80_941 |
| PubMedID: 20510679 |
| Title : Crystal structures of oxime-bound fenamiphos-acetylcholinesterases: reactivation involving flipping of the His447 ring to form a reactive Glu334-His447-oxime triad - Hornberg_2010_Biochem.Pharmacol_79_507 |
| Author(s) : Hornberg A , Artursson E , Warme R , Pang YP , Ekstrom F |
| Ref : Biochemical Pharmacology , 79 :507 , 2010 |
| Abstract : |
| PubMedSearch : Hornberg_2010_Biochem.Pharmacol_79_507 |
| PubMedID: 19732756 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Novel nerve-agent antidote design based on crystallographic and mass spectrometric analyses of tabun-conjugated acetylcholinesterase in complex with antidotes - Ekstrom_2007_Clin.Pharmacol.Ther_82_282 |
| Author(s) : Ekstrom F , Astot C , Pang YP |
| Ref : Clinical Pharmacology & Therapeutics , 82 :282 , 2007 |
| Abstract : |
| PubMedSearch : Ekstrom_2007_Clin.Pharmacol.Ther_82_282 |
| PubMedID: 17443135 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: structural basis for differences in the ability to reactivate tabun conjugates - Ekstrom_2006_Biochem.Pharmacol_72_597 |
| Author(s) : Ekstrom F , Pang YP , Boman M , Artursson E , Akfur C , Borjegren S |
| Ref : Biochemical Pharmacology , 72 :597 , 2006 |
| Abstract : |
| PubMedSearch : Ekstrom_2006_Biochem.Pharmacol_72_597 |
| PubMedID: 16876764 |
| Gene_locus related to this paper: mouse-ACHE |
| Title : Cholinesterase reactivation in vivo with a novel bis-oxime optimized by computer-aided design - Hammond_2003_J.Pharmacol.Exp.Ther_307_190 |
| Author(s) : Hammond PI , Kern C , Hong F , Kollmeyer TM , Pang YP , Brimijoin S |
| Ref : Journal of Pharmacology & Experimental Therapeutics , 307 :190 , 2003 |
| Abstract : |
| PubMedSearch : Hammond_2003_J.Pharmacol.Exp.Ther_307_190 |
| PubMedID: 12893843 |