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

Stucture :

Protein :

References (2)

Title : Asymmetric fluorogenic organophosphates for the development of active organophosphate hydrolases with reversed stereoselectivity - Amitai_2007_Toxicology_233_187
Author(s) : Amitai G , Adani R , Yacov G , Yishay S , Teitlboim S , Tveria L , Limanovich O , Kushnir M , Meshulam H
Ref : Toxicology , 233 :187 , 2007
Abstract : Amitai_2007_Toxicology_233_187
ESTHER : Amitai_2007_Toxicology_233_187
PubMedSearch : Amitai_2007_Toxicology_233_187
PubMedID: 17129656

Title : Enhanced stereoselective hydrolysis of toxic organophosphates by directly evolved variants of mammalian serum paraoxonase - Amitai_2006_FEBS.J_273_1906
Author(s) : Amitai G , Gaidukov L , Adani R , Yishay S , Yacov G , Kushnir M , Teitlboim S , Lindenbaum M , Bel P , Khersonsky O , Tawfik DS , Meshulam H
Ref : Febs J , 273 :1906 , 2006
Abstract : Amitai_2006_FEBS.J_273_1906
ESTHER : Amitai_2006_FEBS.J_273_1906
PubMedSearch : Amitai_2006_FEBS.J_273_1906
PubMedID: 16640555