K454
General
Type : Oxime, Bispyridinium
Chemical_Nomenclature : (NE)-N-[[1-[3-(4-phenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine\;dibromide
Canonical SMILES : C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[N+]3=CC=C(C=C3)C=NO.[Br-].[Br-]
InChI : InChI=1S\/C20H20N3O.2BrH\/c24-21-17-18-7-13-22(14-8-18)11-4-12-23-15-9-20(10-16-23)19-5-2-1-3-6-19\;\;\/h1-3,5-10,13-17H,4,11-12H2\;2*1H\/q+1\;\;\/p-1
InChIKey : YVJRMTWJOJZSRJ-UHFFFAOYSA-M
Other name(s) : K-454
MW : 479.21
Formula : C20H21Br2N3O
CAS_number :
PubChem : 136059153
UniChem : YVJRMTWJOJZSRJ-UHFFFAOYSA-M
Target
Structure : No structure
Families : No family
References (3)
| Title : Reactivation potency of two novel oximes (K456 and K733) against paraoxon-inhibited acetyl and butyrylcholinesterase: In silico and in vitro models - Iqbal_2019_Chem.Biol.Interact_13ChEPon_310_108735 |
| Author(s) : Iqbal A , Malik S , Nurulain SM , Musilek K , Kuca K , Kalasz H , Fatmi MQ |
| Ref : Chemico-Biological Interactions , 310 :108735 , 2019 |
| Abstract : |
| PubMedSearch : Iqbal_2019_Chem.Biol.Interact_13ChEPon_310_108735 |
| PubMedID: 31276662 |
| Title : The evaluation of the reactivating and therapeutic efficacy of three novel bispyridinium oximes (K454, K456, K458) in comparison with the oxime K203 and trimedoxime in tabun-poisoned rats and mice - Kassa_2013_Toxicol.Mech.Methods_23_94 |
| Author(s) : Kassa J , Sepsova V , Musilek K , Horova A |
| Ref : Toxicol Mech Methods , 23 :94 , 2013 |
| Abstract : |
| PubMedSearch : Kassa_2013_Toxicol.Mech.Methods_23_94 |
| PubMedID: 22901042 |
| Title : Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage-Preparation, in vitro screening and molecular docking - Musilek_2011_Bioorg.Med.Chem_19_754 |
| Author(s) : Musilek K , Komloova M , Holas O , Horova A , Pohanka M , Gunn-Moore F , Dohnal V , Dolezal M , Kuca K |
| Ref : Bioorganic & Medicinal Chemistry , 19 :754 , 2011 |
| Abstract : |
| PubMedSearch : Musilek_2011_Bioorg.Med.Chem_19_754 |
| PubMedID: 21215642 |