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Inhibitor Report for: EMP-DDAO

VX analogue. Fluorogenic organophosphate diesters that produce fluorescence emission upon hydrolysis.The first ester is ethyl (E), isopropyl (I), cyclohexyl (C) or pinacoyl (P) analogous to the structure of VX, Sarin, Cyclosarin, and Somen respectively. The fluorescent ester is 3-cyano-4-methyl-7-hydroxy coumarin (MeCyC) or 1,3-dichloro-7-hydroxy-9,9-dimethyl-9H-acridin-2-one (DDAO)


General
Type Organophosphate, Flu-OP, Nerve Agent V-series, Surrogate OP, Derivative of Tacrine
Chemical_Nomenclature methylphosphonic acid ethyl ester 6,8-dichloro-9,9-dimethyl-7-oxo-7,9-dihydro-acridin-2-yl
Canonical SMILES CCO[P](=O)(C)OC1=CC3=C(C=C1)N=C2C=C(C(=O)C(=C2C3(C)C)Cl)Cl
InChI InChI=1S/C18H18Cl2NO4P/c1-5-24-26(4,23)25-10-6-7-13-11(8-10)18(2,3)15-14(21-13)9-12(19)17(22)16(15)20/h6-9H,5H2,1-4H3
InChIKey ULLJVTHIBSXGQA-UHFFFAOYSA-N
Other name(s)
________________________________________________________________________________________________
MW|414.22
Formula|C18H18Cl2NO4P
CAS_number|
PubChem|
UniChem|ULLJVTHIBSXGQA-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | EMP-DDAO ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: EMP-DDAO
    Title: Asymmetric fluorogenic organophosphates for the development of active organophosphate hydrolases with reversed stereoselectivity
    Amitai G, Adani R, Yacov G, Yishay S, Teitlboim S, Tveria L, Limanovich O, Kushnir M, Meshulam H
    Ref: Toxicology, 233:187, 2007 : PubMed

            

    Title: Enhanced stereoselective hydrolysis of toxic organophosphates by directly evolved variants of mammalian serum paraoxonase
    Amitai G, Gaidukov L, Adani R, Yishay S, Yacov G, Kushnir M, Teitlboim S, Lindenbaum M, Bel P and Meshulam H <2 more author(s)>
    Ref: Febs J, 273:1906, 2006 : PubMed