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Reactivator Report for: K474

IC50 0.005 (5nM) human AChE IC50 0.7 muM human BChE


General
Type Bispyridinium
Chemical_Nomenclature 4-tert-butyl-1-[7-(4-tert-butylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium;dibromide
Canonical SMILES CC(C)(C)C1=CC=[N+](C=C1)CCCCCCC[N+]2=CC=C(C=C2)C(C)(C)C.[Br-].[Br-]
InChI InChI=1S/C25H40N2.2BrH/c1-24(2,3)22-12-18-26(19-13-22)16-10-8-7-9-11-17-27-20-14-23(15-21-27)25(4,5)6;;/h12-15,18-21H,7-11,16-17H2,1-6H3;2*1H/q+2;;/p-2
InChIKey LUFRQKFYXQGNBC-UHFFFAOYSA-L
Other name(s) CHEMBL1642976 ; K-474 ; CTK2E1305 ; CHEMBL1739621 ; BDBM50334302
________________________________________________________________________________________________
MW|528.41
Formula|C25H40Br2N2
CAS_number|61369-01-5
PubChem|
UniChem|LUFRQKFYXQGNBC-UHFFFAOYSA-L
IUPHAR|
Wikipedia|

Target

References:
Search PubMed for references concerning: K474
    Title: Development of small bisquaternary cholinesterase inhibitors as drugs for pre-treatment of nerve agent poisonings
    Kuca K, Karasova JZ, Soukup O, Kassa J, Novotna E, Sepsova V, Horova A, Pejchal J, Hrabinova M and Musilek K <4 more author(s)>
    Ref: Drug Des Devel Ther, 12:505, 2018 : PubMed

            

    Title: A comparison of the efficacy of newly developed reversible inhibitors of acetylcholinesterase with commonly used pyridostigmine as pharmacological pre-treatment of soman-poisoned mice
    Kassa J, Musilek K, Koomlova M, Bajgar J
    Ref: Basic Clin Pharmacol Toxicol, 110:322, 2012 : PubMed

            

    Title: Preparation, in vitro screening and molecular modelling of symmetrical 4-tert-butylpyridinium cholinesterase inhibitors--analogues of SAD-128
    Musilek K, Roder J, Komloova M, Holas O, Hrabinova M, Pohanka M, Dohnal V, Opletalova V, Kuca K, Jung YS
    Ref: Bioorganic & Medicinal Chemistry Lett, 21:150, 2011 : PubMed

            


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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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