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3. 1-Chloro-3-phenoxy-2-propanone

1-Chloro-3-phenoxy-2-propanone

General

Type : Halo ketone,Ketone,Transition state analogue

Chemical_Nomenclature : 1-Chloro-3-phenoxy-2-propanone

Canonical SMILES : C1=CC=C(C=C1)OCC(=O)CCl

InChI : InChI=1S\/C9H9ClO2\/c10-6-8(11)7-12-9-4-2-1-3-5-9\/h1-5H,6-7H2

InChIKey : SHASLAUEJHRDFZ-UHFFFAOYSA-N

Other name(s) : 1-Phenoxy 3 chloro acetone,1-Phenoxy-2-propanone 3 chloro,Phenoxy-2-propanone,Phenoxymethyl methyl ketone,2-Propanone, 1-phenoxy-

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MW : 184.62

Formula : C9H9ClO2

CAS_number : 940-47-6

PubChem : 11622456

UniChem : SHASLAUEJHRDFZ-UHFFFAOYSA-N

Target

Families : 1-Chloro-3-phenoxy-2-propanone ligand of proteins in family
ACHE

References (1)

1. Acetylcholinesterase inhibition by the ketone transition state analog phenoxyacetone and 1-halo-3-phenoxy-2-propanones

Title : Acetylcholinesterase inhibition by the ketone transition state analog phenoxyacetone and 1-halo-3-phenoxy-2-propanones -

Author(s) : Dafforn A , Neenan JP , Ash CE , Betts L , Finke JM , Garman JA , Rao M , Walsh K , Williams RR

Ref : Biochemical & Biophysical Research Communications , 104 :597 , 1982

PubMedID: 7073703

Array
(
    [id] => 4584
    [inhibitor] => 1-Chloro-3-phenoxy-2-propanone
    [type] => Array
        (
            [0] => Halo ketone
            [1] => Ketone
            [2] => Transition state analogue
        )

    [other_name] => Array
        (
            [0] => 1-Phenoxy 3 chloro acetone
            [1] => 1-Phenoxy-2-propanone 3 chloro
            [2] => Phenoxy-2-propanone
            [3] => Phenoxymethyl methyl ketone
            [4] => 2-Propanone, 1-phenoxy-
        )

    [chemical_nomenclature] => 1-Chloro-3-phenoxy-2-propanone
    [formula] => C9H9ClO2
    [cas_number] => 940-47-6
    [mw] => 184.62
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Dafforn_1982_Biochem.Biophys.Res.Commun_104_597
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 11622456
    [family] => ACHE
    [inchikey] => SHASLAUEJHRDFZ-UHFFFAOYSA-N
    [canonicalsmiles] => C1=CC=C(C=C1)OCC(=O)CCl
    [inchi] => InChI=1S\/C9H9ClO2\/c10-6-8(11)7-12-9-4-2-1-3-5-9\/h1-5H,6-7H2
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)