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Phenyl-BDPO

TRI-O-CBESYL PHOSPHATE (TOCP) is metabolized in vitro and in vivo to form potent esterase inhibitors. CBDP and Phenyl-BDPO are potent NTE inhibitors

General

Type : Organophosphate,NTE inhibitor,Cyclic OP,Not A\/B H target

Chemical_Nomenclature : 2-phenyl-4H-1,3,25-benzodioxaphosphinine 2-oxide

Canonical SMILES : C1C2=CC=CC=C2OP(=O)(O1)C3=CC=CC=C3

InChI : InChI=1S\/C13H11O3P\/c14-17(12-7-2-1-3-8-12)15-10-11-6-4-5-9-13(11)16-17\/h1-9H,10H2

InChIKey : IVVGLHFVBDTRKX-UHFFFAOYSA-N

Other name(s) : K 1 (pesticide),BRN 2561900,AI3-27200,K-1[pesticide],SCHEMBL9617403,PBO

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MW : 246.20

Formula : C13H11O3P

CAS_number : 4242-21-1

PubChem : 165201

UniChem : IVVGLHFVBDTRKX-UHFFFAOYSA-N

Target

References (2)

1. Potentiation and neurotoxicity induced by certain organophosphates

Title : Potentiation and neurotoxicity induced by certain organophosphates - Casida_1963_Biochem.Pharmacol_12_73

Author(s) : Casida JE , Baron RL , Eto M , Engel JL

Ref : Biochemical Pharmacology , 12 :73 , 1963

Abstract : Casida_1963_Biochem.Pharmacol_12_73

ESTHER : Casida_1963_Biochem.Pharmacol_12_73

PubMedSearch : Casida_1963_Biochem.Pharmacol_12_73

PubMedID: 14019076

2. Biological activity of a tri-o-cresyl phosphate metabolite

Title : Biological activity of a tri-o-cresyl phosphate metabolite - Casida_1961_Nature_191_1396

Author(s) : Casida JE , Eto M , Baron RL

Ref : Nature , 191 :1396 , 1961

Abstract : Casida_1961_Nature_191_1396

ESTHER : Casida_1961_Nature_191_1396

PubMedSearch : Casida_1961_Nature_191_1396

PubMedID:

Array
(
    [id] => 4419
    [inhibitor] => Phenyl-BDPO
    [type] => Array
        (
            [0] => Organophosphate
            [1] => NTE inhibitor
            [2] => Cyclic OP
            [3] => Not A\/B H target
        )

    [other_name] => Array
        (
            [0] => K 1 (pesticide)
            [1] => BRN 2561900
            [2] => AI3-27200
            [3] => K-1[pesticide]
            [4] => SCHEMBL9617403
            [5] => PBO
        )

    [chemical_nomenclature] => 2-phenyl-4H-1,3,25-benzodioxaphosphinine 2-oxide
    [formula] => C13H11O3P
    [cas_number] => 4242-21-1
    [mw] => 246.20
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Casida_1963_Biochem.Pharmacol_12_73 || Casida_1961_Nature_191_1396
    [comment] => TRI-O-CBESYL PHOSPHATE (TOCP<\/A>) is metabolized in vitro and in vivo to form potent esterase inhibitors. CBDP and Phenyl-BDPO are potent NTE inhibitors
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 165201
    [family] => 
    [inchikey] => IVVGLHFVBDTRKX-UHFFFAOYSA-N
    [canonicalsmiles] => C1C2=CC=CC=C2OP(=O)(O1)C3=CC=CC=C3
    [inchi] => InChI=1S\/C13H11O3P\/c14-17(12-7-2-1-3-8-12)15-10-11-6-4-5-9-13(11)16-17\/h1-9H,10H2
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)