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Pa5

AChE PAS inhibitor (phenylphenanthridinium) equipped with an acatylene group at the end of a flexible methylene chain used as building block of 1,3-dipolar cycloaddition (click chemistry) with an active site inhibitor (tacrine) equipped with an azide group at the end of a methylene chain

General

Type : Phenanthridinium,Alkyne

Chemical_Nomenclature : 5-hept-6-ynyl-6-phenylphenanthridin-5-ium-3,8-diamine

Canonical SMILES : C#CCCCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

InChI : InChI=1S\/C26H25N3\/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19\/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2\/p+1

InChIKey : WJXZOVZRCNSPKF-UHFFFAOYSA-O

Other name(s) : 3,8-Diamino-5-(6-heptynyl)-6-phenylphenanthridinium,3,8-diamino-5-oct-7'-ynyl-5-phenylphenanthridinium triflate,PZ5

MW : 380.51

Formula : C26H26N3

CAS_number :

PubChem :

UniChem : WJXZOVZRCNSPKF-UHFFFAOYSA-O

IUPHAR :

Wikipedia :

Target

Families : Pa5 ligand of proteins in family: ACHE

Stucture : 5EIH mAChE-TZ2\/PA5 complex

Protein :

References (3)

Title : Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation - Bourne_2004_Proc.Natl.Acad.Sci.U.S.A_101_1449
Author(s) : Bourne Y , Kolb HC , Radic Z , Sharpless KB , Taylor P , Marchot P
Ref : Proc Natl Acad Sci U S A , 101 :1449 , 2004
Abstract : Bourne_2004_Proc.Natl.Acad.Sci.U.S.A_101_1449
ESTHER : Bourne_2004_Proc.Natl.Acad.Sci.U.S.A_101_1449
PubMedSearch : Bourne_2004_Proc.Natl.Acad.Sci.U.S.A_101_1449
PubMedID: 14757816
Gene_locus related to this paper: mouse-ACHE

Title : Cover picture: angew. Chem. Int. Ed. 6\/2002 - Lewis_2002_Angew.Chem.Int.Ed.Engl_41_875
Author(s) : Lewis WG , Green LG , Grynszpan F , Radic Z , Carlier PR , Taylor P , Finn MG , Sharpless KB
Ref : Angew Chem Int Ed Engl , 41 :875 , 2002
Abstract : Lewis_2002_Angew.Chem.Int.Ed.Engl_41_875
ESTHER : Lewis_2002_Angew.Chem.Int.Ed.Engl_41_875
PubMedSearch : Lewis_2002_Angew.Chem.Int.Ed.Engl_41_875
PubMedID:

Title : Click chemistry in situ: acetylcholinesterase as a reaction vessel for the selective assembly of a femtomolar inhibitor from an array of building blocks -
Author(s) : Lewis WG , Green LG , Grynszpan F , Radic Z , Carlier PR , Taylor P , Finn MG , Sharpless KB
Ref : Angew Chem Int Ed Engl , 41 :1053 , 2002
PubMedID: 12491310