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IMP-pNP-F

General

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

Chemical_Nomenclature : 1-[1-fluoropropan-2-yloxy(methyl)phosphoryl]oxy-4-nitrobenzene

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

InChI : InChI=1S\/C10H13FNO5P\/c1-8(7-11)16-18(2,15)17-10-5-3-9(4-6-10)12(13)14\/h3-6,8H,7H2,1-2H3

InChIKey : XQMQWIGOTLYTDW-UHFFFAOYSA-N

Other name(s) : 1-fluoropropan-2-yl 4-nitrophenyl methylphosphonate,1-[1-fluoropropan-2-yloxy(methyl)phosphoryl]oxy-4-nitrobenzene

MW : 277.19

Formula : C10H13FNO5P

CAS_number :

PubChem : 72706574

UniChem : XQMQWIGOTLYTDW-UHFFFAOYSA-N

Target

Families : IMP-pNP-F ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

Title : The inhibition, reactivation and mechanism of VX-, sarin-, fluoro-VX and fluoro-sarin surrogates following their interaction with HuAChE and HuBuChE - Chao_2018_Chem.Biol.Interact_291_220
Author(s) : Chao CK , Balasubramanian N , Gerdes JM , Thompson CM
Ref : Chemico-Biological Interactions , 291 :220 , 2018
Abstract : Chao_2018_Chem.Biol.Interact_291_220
ESTHER : Chao_2018_Chem.Biol.Interact_291_220
PubMedSearch : Chao_2018_Chem.Biol.Interact_291_220
PubMedID: 29920286 
Array
(
    [id] => 5271
    [inhibitor] => IMP-pNP-F
    [type] => Array
        (
            [0] => Organophosphate
            [1] => Surrogate OP
            [2] => Nerve Agent G-series
            [3] => pNP
            [4] => Derivative of Sarin
        )

    [other_name] => Array
        (
            [0] => 1-fluoropropan-2-yl 4-nitrophenyl methylphosphonate
            [1] => 1-[1-fluoropropan-2-yloxy(methyl)phosphoryl]oxy-4-nitrobenzene
        )

    [chemical_nomenclature] => 1-[1-fluoropropan-2-yloxy(methyl)phosphoryl]oxy-4-nitrobenzene
    [formula] => C10H13FNO5P
    [cas_number] => 
    [mw] => 277.19
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Chao_2018_Chem.Biol.Interact_291_220
    [comment] => 
    [gene_locus] => human-ACHE
    [kin_inhibitor] => 
    [cid] => 72706574
    [family] => ACHE
    [inchikey] => XQMQWIGOTLYTDW-UHFFFAOYSA-N
    [canonicalsmiles] => CC(CF)OP(=O)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
    [inchi] => InChI=1S\/C10H13FNO5P\/c1-8(7-11)16-18(2,15)17-10-5-3-9(4-6-10)12(13)14\/h3-6,8H,7H2,1-2H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)