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RS170B

General

Type : Oxime, Carboxamide

Chemical_Nomenclature : 1-[3-[(2E)-2-(nitrosomethylidene)-1H-imidazol-3-yl]propyl]pyridin-1-ium-4-carboxamide

Canonical SMILES : C1=C[N+](=CC=C1C(=O)N)CCCN2C=CNC2=CN=O

InChI : InChI=1S\/C13H15N5O2\/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20\/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)\/p+1

InChIKey : AEYBMKVDFNSVJO-UHFFFAOYSA-O

Other name(s) : RS-170B  ||  SCHEMBL16664108  ||  4-Carbamoyl-1-(3-{2-[(hydroxyimino)methyl]imidazol-1-yl}propyl)pyridin-1-ium Bromide  ||  CHEMBL3139900

MW : 274.3

Formula : C13H16N5O2

CAS_number :

PubChem : 118024428,    76314587

UniChem : AEYBMKVDFNSVJO-UHFFFAOYSA-O

Target

Structure : 8DT5, 6O66, 6O5R, 6O5S, 6O5V

Families : No family

References (4)

Title : Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering - Gerlits_2022_Structure_30_1538
Author(s) : Gerlits O , Fajer M , Cheng X , Blumenthal DK , Radic Z , Kovalevsky A
Ref : Structure , 30 :1538 , 2022
Abstract :
PubMedSearch : Gerlits_2022_Structure_30_1538
PubMedID: 36265484
Gene_locus related to this paper: human-ACHE

Title : Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase - Gerlits_2019_J.Biol.Chem_294_10607
Author(s) : Gerlits O , Kong X , Cheng X , Wymore T , Blumenthal DK , Taylor P , Radic Z , Kovalevsky A
Ref : Journal of Biological Chemistry , 294 :10607 , 2019
Abstract :
PubMedSearch : Gerlits_2019_J.Biol.Chem_294_10607
PubMedID: 31138650
Gene_locus related to this paper: human-ACHE

Title : Catalytic Soman Scavenging by the Y337A\/F338A Acetylcholinesterase Mutant Assisted with Novel Site-Directed Aldoximes - Kovarik_2015_Chem.Res.Toxicol_28_1036
Author(s) : Kovarik Z , Macek Hrvat N , Katalinic M , Sit RK , Paradyse A , Zunec S , Musilek K , Fokin VV , Taylor P , Radic Z
Ref : Chemical Research in Toxicology , 28 :1036 , 2015
Abstract :
PubMedSearch : Kovarik_2015_Chem.Res.Toxicol_28_1036
PubMedID: 25835984

Title : Imidazole aldoximes effective in assisting butyrylcholinesterase catalysis of organophosphate detoxification - Sit_2014_J.Med.Chem_57_1378
Author(s) : Sit RK , Fokin VV , Amitai G , Sharpless KB , Taylor P , Radic Z
Ref : Journal of Medicinal Chemistry , 57 :1378 , 2014
Abstract :
PubMedSearch : Sit_2014_J.Med.Chem_57_1378
PubMedID: 24571195