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Inhibitor Report for: Tz2Pa6-syn1

Name Class
Tz2Pa6-syn1Type (5)
Other_NameCHEMBL117651
Chemical_Nomenclature3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1H-1,2,3-triazol-5-yl]hexyl] phenanthridinium
FormulaC42H45N8
Paper (8)
Structure (6)
CommentThe AChE inhibitor TZ2PA6 results from 1,3-dipolar cycloaddition (click chemistry) between a PAS inhibitor (phenylphenanthridinium) equipped with an acetylene group at the end of a flexible methylene chain and an active site inhibitor (tacrine)equipped with an azide group at the end of a methylene chain
Gene_locusmouse-ACHE
CID5289508
FamilyACHE
InChIKeyISUOMOOYAOQQPZ-UHFFFAOYSA-O
CanonicalSMILESC1CCC2=NC3=CC=CC=C3C(=C2C1)NCCN4C(=CN=N4)CCCCCC[N+]5=C6C=C(C=CC6=C7C=CC(=CC7=C5C8=CC=CC=C8)N)N
InChIInChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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