Isosorbide-2-benzylcarbamate-5-salicylate
IC50 150 pM and selectivity for human BuChE over AChE (666000) and CES2 (23000)
General
Type : Isosorbide,Salicylic,Carbamate,Benzoate
Chemical_Nomenclature : [(3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-hydroxybenzoate
Canonical SMILES : C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4O
InChI : InChI=1S\/C21H21NO7\/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13\/h1-9,16-19,23H,10-12H2,(H,22,25)\/t16-,17+,18-,19-\/m1\/s1
InChIKey : ZFKPOGMAKBXHRD-FCGDIQPGSA-N
Other name(s) : CHEMBL570764,BDBM50303940,2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-dianhydro-D-glucitol
MW : 399.39
Formula : C21H21NO7
CAS_number :
PubChem : 45487242
UniChem : ZFKPOGMAKBXHRD-FCGDIQPGSA-N
IUPHAR :
Wikipedia :
Target
Families : Isosorbide-2-benzylcarbamate-5-salicylate ligand of proteins in family: BCHE
Stucture :
Protein : human-BCHE
References (1)
| Title : Isosorbide-2-benzyl carbamate-5-salicylate, a peripheral anionic site binding subnanomolar selective butyrylcholinesterase inhibitor - Carolan_2010_J.Med.Chem_53_1190 |
| Author(s) : Carolan CG , Dillon GP , Khan D , Ryder SA , Gaynor JM , Reidy S , Marquez JF , Jones M , Holland V , Gilmer JF |
| Ref : Journal of Medicinal Chemistry , 53 :1190 , 2010 |
| Abstract : Carolan_2010_J.Med.Chem_53_1190 |
| ESTHER : Carolan_2010_J.Med.Chem_53_1190 |
| PubMedSearch : Carolan_2010_J.Med.Chem_53_1190 |
| PubMedID: 20067290 |