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3. Tetrabenzyl-D-glucosamine-oxadiazole-6i

Tetrabenzyl-D-glucosamine-oxadiazole-6i

IC50 of 1.61+/- 0.34 microM

General

Type : Oxadiazol,Carbohydrate,Glycoside

Chemical_Nomenclature : N-(1,3,4,6-tetra-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-amine

Canonical SMILES : C4(C(NC1=NN=C(O1)C2=CC=C(C=C2)F)C(OC3=CC=CC=C3)C(C(C4)OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7

InChI : InChI=1S\/C38H32FN3O5\/c39-27-23-21-26(22-24-27)37-41-42-38(47-37)40-34-32(43-28-13-5-1-6-14-28)25-33(44-29-15-7-2-8-16-29)35(45-30-17-9-3-10-18-30)36(34)46-31-19-11-4-12-20-31\/h1-24,32-36H,25H2,(H,40,42)

InChIKey : FTMURNSMGAROCH-UHFFFAOYSA-N

Other name(s) :

---

MW : 629.68

Formula : C38H32FN3O5629.68

CAS_number :

PubChem :

UniChem : FTMURNSMGAROCH-UHFFFAOYSA-N

Target

Families : Tetrabenzyl-D-glucosamine-oxadiazole-6i ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

1. Synthesis and bioactivity of novel C2-glycosyl oxadiazole derivatives as acetylcholinesterase inhibitors

Title : Synthesis and bioactivity of novel C2-glycosyl oxadiazole derivatives as acetylcholinesterase inhibitors - Wang_2018_Heterocycl.Commun_24_333

Author(s) : Wang L , Wu YR , Ren ST , Yin L , Liu XJ , Cheng FC , Liu WW , Shi DH , Cao ZL , Sun HM

Ref : Heterocycl Commun , 24 :333 , 2018

Abstract : Wang_2018_Heterocycl.Commun_24_333

ESTHER : Wang_2018_Heterocycl.Commun_24_333

PubMedSearch : Wang_2018_Heterocycl.Commun_24_333

PubMedID:

Array
(
    [id] => 1197
    [inhibitor] => Tetrabenzyl-D-glucosamine-oxadiazole-6i
    [type] => Array
        (
            [0] => Oxadiazol
            [1] => Carbohydrate
            [2] => Glycoside
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => N-(1,3,4,6-tetra-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-amine
    [formula] => C38H32FN3O5629.68
    [cas_number] => 
    [mw] => 629.68
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Wang_2018_Heterocycl.Commun_24_333
    [comment] => IC50 of 1.61+\/- 0.34 microM
    [gene_locus] => human-ACHE
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE
    [inchikey] => FTMURNSMGAROCH-UHFFFAOYSA-N
    [canonicalsmiles] => C4(C(NC1=NN=C(O1)C2=CC=C(C=C2)F)C(OC3=CC=CC=C3)C(C(C4)OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
    [inchi] => InChI=1S\/C38H32FN3O5\/c39-27-23-21-26(22-24-27)37-41-42-38(47-37)40-34-32(43-28-13-5-1-6-14-28)25-33(44-29-15-7-2-8-16-29)35(45-30-17-9-3-10-18-30)36(34)46-31-19-11-4-12-20-31\/h1-24,32-36H,25H2,(H,40,42)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)