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DMBMP-thiocholine

can be synthetized as (Sp) or (P-) and (Rp) or (P+) stereoisomers

General

Type : Organophosphate,Trimethylammonium,Sulfur Compound

Chemical_Nomenclature : 2-(3,3-dimethylbutoxy-methyl-oxidophosphaniumyl)sulfanylethyl-trimethylazanium

Canonical SMILES : CC(C)(C)CCO[P+](C)([O-])SCC[N+](C)(C)C

InChI : InChI=1S\/C12H29NO2PS\/c1-12(2,3)8-10-15-16(7,14)17-11-9-13(4,5)6\/h8-11H2,1-7H3\/q+1

InChIKey : BARGDJKEDLFIBS-UHFFFAOYSA-N

Other name(s) : 3,3-dimethylbutyl methylphosphonyl thiocholine

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MW : 282.40

Formula : C12H29NO2PS+

CAS_number :

PubChem : 101255752

UniChem : BARGDJKEDLFIBS-UHFFFAOYSA-N

Target

Families : DMBMP-thiocholine ligand of proteins in family
ACHE

References (3)

1. Mechanism of oxime reactivation of acetylcholinesterase analyzed by chirality and mutagenesis

Title : Mechanism of oxime reactivation of acetylcholinesterase analyzed by chirality and mutagenesis - Wong_2000_Biochemistry_39_5750

Author(s) : Wong L , Radic Z , Bruggemann RJ , Hosea NA , Berman HA , Taylor P

Ref : Biochemistry , 39 :5750 , 2000

Abstract : Wong_2000_Biochemistry_39_5750

ESTHER : Wong_2000_Biochemistry_39_5750

PubMedSearch : Wong_2000_Biochemistry_39_5750

PubMedID: 10801325

2. Chiral reactions of acetylcholinesterase probed with enantiomeric methylphosphonothioates. Noncovalent determinants of enzyme chirality [published erratum appears in J Biol Chem 1989 Nov 25\;264(33):20154]

Title : Chiral reactions of acetylcholinesterase probed with enantiomeric methylphosphonothioates. Noncovalent determinants of enzyme chirality [published erratum appears in J Biol Chem 1989 Nov 25\;264(33):20154] - Berman_1989_J.Biol.Chem_264_3942

Author(s) : Berman HA , Leonard K

Ref : Journal of Biological Chemistry , 264 :3942 , 1989

Abstract : Berman_1989_J.Biol.Chem_264_3942

ESTHER : Berman_1989_J.Biol.Chem_264_3942

PubMedSearch : Berman_1989_J.Biol.Chem_264_3942

PubMedID: 2917983

3. Chiral nature of covalent methylphosphonyl conjugates of acetylcholinesterase

Title : Chiral nature of covalent methylphosphonyl conjugates of acetylcholinesterase - Berman_1989_J.Biol.Chem_264_3951

Author(s) : Berman HA , Decker MM

Ref : Journal of Biological Chemistry , 264 :3951 , 1989

Abstract : Berman_1989_J.Biol.Chem_264_3951

ESTHER : Berman_1989_J.Biol.Chem_264_3951

PubMedSearch : Berman_1989_J.Biol.Chem_264_3951

PubMedID: 2917984

Array
(
    [id] => 5079
    [inhibitor] => DMBMP-thiocholine
    [type] => Array
        (
            [0] => Organophosphate
            [1] => Trimethylammonium
            [2] => Sulfur Compound
        )

    [other_name] => Array
        (
            [0] => 3,3-dimethylbutyl methylphosphonyl thiocholine
        )

    [chemical_nomenclature] => 2-(3,3-dimethylbutoxy-methyl-oxidophosphaniumyl)sulfanylethyl-trimethylazanium
    [formula] => C12H29NO2PS+
    [cas_number] => 
    [mw] => 282.40
    [pick_me_to_call] => display_script || display_script
    [kinetic_parameter] => 
    [paper] => Berman_1989_J.Biol.Chem_264_3951 || Berman_1989_J.Biol.Chem_264_3942 || Wong_2000_Biochemistry_39_5750
    [comment] => can be synthetized as (Sp) or (P-) and (Rp) or (P+) stereoisomers
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 101255752
    [family] => ACHE
    [inchikey] => BARGDJKEDLFIBS-UHFFFAOYSA-N
    [canonicalsmiles] => CC(C)(C)CCO[P+](C)([O-])SCC[N+](C)(C)C
    [inchi] => InChI=1S\/C12H29NO2PS\/c1-12(2,3)8-10-15-16(7,14)17-11-9-13(4,5)6\/h8-11H2,1-7H3\/q+1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)