3-aminocoumarin-N-benzylpyridinium-9h
Electric eel AChE IC50 value of 1.53+/-0.01 nM
General
Type : Coumarin,Pyridine
Chemical_Nomenclature : 1-(2,3-Difluorobenzyl)-4-(6,7-dimethoxy-2-oxo-2H-chromen-3-ylcarbamoyl)pyridinium bromide
Canonical SMILES : C1(=C(C=C2C(=C1)C=C(C(O2)=O)NC(=O)C3=CC=[N+](C=C3)CC4=C(C=CC=C4F)F)OC)OC.[Br-]
InChI : InChI=1S\/C24H18F2N2O5.BrH\/c1-31-21-11-15-10-19(24(30)33-20(15)12-22(21)32-2)27-23(29)14-6-8-28(9-7-14)13-16-17(25)4-3-5-18(16)26\;\/h3-12H,13H2,1-2H3\;1H
InChIKey : HHDDJTWEIZWBGB-UHFFFAOYSA-N
Other name(s) :
MW : 453.42
Formula : C24H19F2N2O5
CAS_number :
PubChem :
UniChem : HHDDJTWEIZWBGB-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 3-aminocoumarin-N-benzylpyridinium-9h ligand of proteins in family: ACHE
Stucture :
Protein :
References (1)
| Title : Synthesis of 3-aminocoumarin-N-benzylpyridinium conjugates with nanomolar inhibitory activity against acetylcholinesterase - Khunnawutmanotham_2018_Beilstein.J.Org.Chem_14_2545 |
| Author(s) : Khunnawutmanotham N , Laongthipparos C , Saparpakorn P , Chimnoi N , Techasakul S |
| Ref : Beilstein J Org Chem , 14 :2545 , 2018 |
| Abstract : Khunnawutmanotham_2018_Beilstein.J.Org.Chem_14_2545 |
| ESTHER : Khunnawutmanotham_2018_Beilstein.J.Org.Chem_14_2545 |
| PubMedSearch : Khunnawutmanotham_2018_Beilstein.J.Org.Chem_14_2545 |
| PubMedID: 30410615 |