DTNP

Combined BCHE/HDAC6-IN-2 and NIR fluorophore Hemicyanine: BChE inhibition IC50 29.7 nM AChE inhibition at 10 microM 12.30%

General

Type : Fluorescent Probe, Hemicyanine, Near-Infrared fluorescent Probe, Triazol, Carboxamide, Xanthene, Cyclopropane

Chemical_Nomenclature :

Canonical SMILES : CC1(C)C(\/C=C\/C(CCC2)=C3C2=CC(C=CC(OC(C4CC4)=O)=C5)=C5O3)=[N+](CCCC(N=N6)=CN6CCNC(C7=CC=CC(C(NC8=CC=CC(C(NCC9=CC=CC=C9CN(CC)CC)=O)=C8)=O)=C7)=O)C\%10=CC=CC=C\%101.[I-]

InChI : InChI=1S\/C63H66N8O6.HI\/c1-5-69(6-2)40-50-16-8-7-15-49(50)39-65-60(73)48-21-13-22-51(37-48)66-61(74)47-20-12-19-46(36-47)59(72)64-32-34-70-41-52(67-68-70)23-14-33-71-55-25-10-9-24-54(55)63(3,4)57(71)31-29-42-17-11-18-45-35-44-28-30-53(38-56(44)77-58(42)45)76-62(75)43-26-27-43\;\/h7-10,12-13,15-16,19-22,24-25,28-31,35-38,41,43H,5-6,11,14,17-18,23,26-27,32-34,39-40H2,1-4H3,(H2-,64,65,66,72,73,74)\;1H\/b31-29+\;

InChIKey : SJOZFXONOKPEIY-QDDHFQMKSA-N

Other name(s) :


MW : 1159.17

Formula : C63H67IN8O6

CAS_number :

PubChem :

UniChem : SJOZFXONOKPEIY-QDDHFQMKSA-N

Target

Families : DTNP ligand of proteins in family
BCHE

Protein :
human-BCHE

References (1)

Title : Butyrylcholinesterase-Activated Near-Infrared Fluorogenic Probe for In Vivo Theranostics of Alzheimer's Disease - Wang_2024_J.Med.Chem__
Author(s) : Wang L , Sun T , Zhen T , Li W , Yang H , Wang S , Feng F , Chen Y , Sun H
Ref : Journal of Medicinal Chemistry , : , 2024
PubMedID: 38546542