Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H16N4O3.2Cl.H2O |
| Molecular Weight | 377.223 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Cl-].[Cl-].NC(=O)C1=CC=[N+](COC[N+]2=CC=CC=C2\C=N\O)C=C1
InChI
InChIKey=GYEZCRHNOKYBFX-UHFFFAOYSA-N
InChI=1S/C14H14N4O3.2ClH.H2O/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;;/h1-9H,10-11H2,(H-,15,19);2*1H;1H2
| Molecular Formula | C14H15N4O3 |
| Molecular Weight | 287.2939 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Spontaneous and oxime-induced reactivation of acetylcholinesterase inhibited by phosphoramidates. | 1988 |
|
| Reactivation by various oximes of human erythrocyte acetylcholinesterase inhibited by different organophosphorus compounds. | 1996 |
|
| Comparison of oxime-initiated reactivation of organophosphorous-inhibited acetylcholinesterase in brains of avian embryos. | 2000 Jan 14 |
|
| Active site mutant acetylcholinesterase interactions with 2-PAM, HI-6, and DDVP. | 2006 Apr 14 |
|
| Improvement of acetylcholinesterase-based assay for organophosphates in way of identification by reactivators. | 2008 Oct 19 |
|
| Comparison of oxime reactivation and aging of nerve agent-inhibited monkey and human acetylcholinesterases. | 2008 Sep 25 |
|
| A comparison of reactivating efficacy of newly developed oximes (K074, K075) and currently available oximes (obidoxime, HI-6) in soman, cyclosarin and tabun-poisoned rats. | 2008 Sep 25 |
|
| New bispyridinium oximes: in vitro and in vivo evaluation of their biological efficiency in soman and tabun poisoning. | 2008 Sep 25 |
|
| Comparison of the oxime-induced reactivation of rhesus monkey, swine and guinea pig erythrocyte acetylcholinesterase following inhibition by sarin or paraoxon, using a perfusion model for the real-time determination of membrane-bound acetylcholinesterase activity. | 2009 Apr 28 |
|
| Effect of acetylcholinesterase oxime-type reactivators K-48 and HI-6 on human liver microsomal cytochromes P450 in vitro. | 2009 Aug 14 |
|
| In vitro reactivation of trichlorfon-inhibited butyrylcholinesterase using HI-6, obidoxime, pralidoxime and K048. | 2009 Jun |
|
| Interaction of pentylsarin analogues with human acetylcholinesterase: a kinetic study. | 2009 Jun 1 |
|
| Comparative study of oxime-induced reactivation of erythrocyte and muscle AChE from different animal species following inhibition by sarin or paraoxon. | 2010 May 4 |
|
| Prediction of soman-induced cerebral damage by distortion product otoacoustic emissions. | 2010 Nov 9 |
|
| Comparison of human and guinea pig acetylcholinesterase sequences and rates of oxime-assisted reactivation. | 2010 Sep 6 |
|
| Interactions of pyridinium oximes with acetylcholinesterase. | 2010 Sep 6 |
|
| Interaction kinetics of oximes with native, phosphylated and aged human acetylcholinesterase. | 2010 Sep 6 |
|
| In vivo reactivation by oximes of inhibited blood, brain and peripheral tissue cholinesterase activity following exposure to nerve agents in guinea pigs. | 2010 Sep 6 |
|
| Tabun-inhibited rat tissue and blood cholinesterases and their reactivation with the combination of trimedoxime and HI-6 in vivo. | 2010 Sep 6 |
|
| Kinetic analysis of interactions of different sarin and tabun analogues with human acetylcholinesterase and oximes: is there a structure-activity relationship? | 2010 Sep 6 |
|
| Mechanism for potent reactivation ability of H oximes analyzed by reactivation kinetic studies with cholinesterases from different species. | 2010 Sep 6 |
|
| In vitro ability of currently available oximes to reactivate organophosphate pesticide-inhibited human acetylcholinesterase and butyrylcholinesterase. | 2011 |
|
| Gene expression and phosphoprotein profile of certain key neuronal signaling proteins following soman intoxication. | 2011 Dec 18 |
|
| Kinetic analysis of interactions of paraoxon and oximes with human, Rhesus monkey, swine, rabbit, rat and guinea pig acetylcholinesterase. | 2011 Jan 15 |
|
| Effect of different buffers on kinetic properties of human acetylcholinesterase and the interaction with organophosphates and oximes. | 2011 Mar |
|
| In vitro effects of acetylcholinesterase reactivators on monoamine oxidase activity. | 2011 Mar 5 |
|
| Amidine-oximes: reactivators for organophosphate exposure. | 2011 May 12 |
|
| Reactivation of organophosphate-inhibited human acetylcholinesterase by isonitrosoacetone (MINA): a kinetic analysis. | 2011 Nov 15 |
|
| A comparison of the reactivating and therapeutic efficacy of chosen combinations of oximes with individual oximes against VX in rats and mice. | 2011 Oct |
|
| Restoration of nerve agent inhibited muscle force production in human intercostal muscle strips with HI 6. | 2011 Sep 25 |
|
| Immobilization of Russian VX skin depots by localized cooling: implications for decontamination and medical countermeasures. | 2011 Sep 25 |
|
| Increasing oxime efficacy by blood-brain barrier modulation. | 2011 Sep 25 |
|
| Comparative kinetics of organophosphates and oximes with erythrocyte, muscle and brain acetylcholinesterase. | 2012 Mar 7 |
|
| Two medical therapies very effective shortly after high levels of soman poisoning in rats, but only one with universal utility. | 2013 Dec 15 |
|
| In vitro investigation of efficacy of new reactivators on OPC inhibited rat brain acetylcholinesterase. | 2013 Mar 25 |
|
| Syntheses and in vitro evaluations of uncharged reactivators for human acetylcholinesterase inhibited by organophosphorus nerve agents. | 2013 Mar 25 |
|
| A common mechanism for resistance to oxime reactivation of acetylcholinesterase inhibited by organophosphorus compounds. | 2013 Mar 25 |
|
| Human plasma-derived BuChE as a stoichiometric bioscavenger for treatment of nerve agent poisoning. | 2013 Mar 25 |
|
| Reactions of methylphosphonic difluoride with human acetylcholinesterase and oximes--Possible therapeutic implications. | 2014 Nov 18 |
|
| Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase. | 2015 Feb 3 |
|
| Probing the role of amino acids in oxime-mediated reactivation of nerve agent-inhibited human acetylcholinesterase. | 2015 Mar |
|
| Pharmacokinetic profile and quantitation of protection against soman poisoning by the antinicotinic compound MB327 in the guinea-pig. | 2016 Feb 26 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:16:38 UTC 2023
by
admin
on
Sat Dec 16 08:16:38 UTC 2023
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| Record UNII |
FE358MQ67Y
|
| Record Status |
Validated (UNII)
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| Record Version |
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FE358MQ67Y
Created by
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m2095
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82504-20-9
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135565615
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admin on Sat Dec 16 08:16:38 UTC 2023 , Edited by admin on Sat Dec 16 08:16:38 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
