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NEDPA

tabun analogue. Less toxic but giving the same adduct. Not to be confonded with Ephenidine (NEDPA or EPE)

General

Type : Organophosphate,Surrogate OP,Nerve Agent G-series,pNP

Chemical_Nomenclature : N-[ethoxy-(4-nitrophenoxy)phosphoryl]-N-methylmethanamine

Canonical SMILES : CCOP(=O)(N(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI : InChI=1S\/C10H15N2O5P\/c1-4-16-18(15,11(2)3)17-10-7-5-9(6-8-10)12(13)14\/h5-8H,4H2,1-3H3

InChIKey : VLJXABBXKHWHBS-UHFFFAOYSA-N

Other name(s) : 4-Nitrophenyl ethyl dimethylphosphoramidate

MW : 274.21

Formula : C10H15N2O5P

CAS_number :

PubChem : 123172233

UniChem : VLJXABBXKHWHBS-UHFFFAOYSA-N

Target

Families : NEDPA ligand of proteins in family
ACHE Cholesterol_esterase

Protein :
torca-ACHE human-CEL

References (2)

Title : X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates - Touvrey_2019_Toxicology_411_15
Author(s) : Touvrey C , Courageux C , Guillon V , Terreux R , Nachon F , Brazzolotto X
Ref : Toxicology , 411 :15 , 2019
Abstract : Touvrey_2019_Toxicology_411_15
ESTHER : Touvrey_2019_Toxicology_411_15
PubMedSearch : Touvrey_2019_Toxicology_411_15
PubMedID: 30359675
Gene_locus related to this paper: human-CEL

Title : Synthesis and in vitro and in vivo inhibition potencies of highly relevant nerve agent surrogates - Meek_2012_Toxicol.Sci_126_525
Author(s) : Meek EC , Chambers HW , Coban A , Funck KE , Pringle RB , Ross MK , Chambers JE
Ref : Toxicol Sci , 126 :525 , 2012
Abstract : Meek_2012_Toxicol.Sci_126_525
ESTHER : Meek_2012_Toxicol.Sci_126_525
PubMedSearch : Meek_2012_Toxicol.Sci_126_525
PubMedID: 22247004 
Array
(
    [id] => 5286
    [inhibitor] => NEDPA
    [type] => Array
        (
            [0] => Organophosphate
            [1] => Surrogate OP
            [2] => Nerve Agent G-series
            [3] => pNP
        )

    [other_name] => Array
        (
            [0] => 4-Nitrophenyl ethyl dimethylphosphoramidate
        )

    [chemical_nomenclature] => N-[ethoxy-(4-nitrophenoxy)phosphoryl]-N-methylmethanamine
    [formula] => C10H15N2O5P
    [cas_number] => 
    [mw] => 274.21
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Touvrey_2019_Toxicology_411_15 || Meek_2012_Toxicol.Sci_126_525
    [comment] => tabun analogue. Less toxic but giving the same adduct. Not to be confonded with Ephenidine (NEDPA or EPE)
    [gene_locus] => torca-ACHE || human-CEL
    [kin_inhibitor] => 
    [cid] => 123172233
    [family] => ACHE || Cholesterol_esterase
    [inchikey] => VLJXABBXKHWHBS-UHFFFAOYSA-N
    [canonicalsmiles] => CCOP(=O)(N(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
    [inchi] => InChI=1S\/C10H15N2O5P\/c1-4-16-18(15,11(2)3)17-10-7-5-9(6-8-10)12(13)14\/h5-8H,4H2,1-3H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)