N-saccharinohexylgalanthamine
General
Type : Derivative of Galanthamine,Alkaloid,Natural_modified,Alkyl linked bis-ligand,Sulfur Compound
Chemical_Nomenclature : 2-[8-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0 1,12.0 6,17]heptadeca-6(17),7,9,15-tetraen-4-yl]octyl]-1,1-dioxo-1,2-benzothiazol-3-one
Canonical SMILES : COC1=C2C3=C(CN(CCC34C=CC(CC4O2)O)CCCCCCCCN5C(=O)C6=CC=CC=C6S5(=O)=O)C=C1
InChI : InChI=1S\/C31H38N2O6S\/c1-38-25-13-12-22-21-32(19-16-31-15-14-23(34)20-27(31)39-29(25)28(22)31)17-8-4-2-3-5-9-18-33-30(35)24-10-6-7-11-26(24)40(33,36)37\/h6-7,10-15,23,27,34H,2-5,8-9,16-21H2,1H3\/t23-,27-,31-\/m0\/s1
InChIKey : SUFMWEXOZBWNLL-BDZGNEFQSA-N || FYQHOKTZMNKDAS-IRZDCOEBSA-N
Other name(s) : CHEMBL567472,CHEMBL1794936,BDBM50378567,N-saccharinohexyl-galanthamine
MW : 566.71
Formula : C31H38N2O6S
CAS_number :
UniChem : SUFMWEXOZBWNLL-BDZGNEFQSA-N || FYQHOKTZMNKDAS-IRZDCOEBSA-N
IUPHAR :
Wikipedia :
Target
Families : N-saccharinohexylgalanthamine ligand of proteins in family: ACHE
Stucture : 3I6Z 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexylgalanthamine
Protein : torca-ACHE
References (1)
| Title : Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives - Bartolucci_2010_J.Med.Chem_53_745 |
| Author(s) : Bartolucci C , Haller LA , Jordis U , Fels G , Lamba D |
| Ref : Journal of Medicinal Chemistry , 53 :745 , 2010 |
| Abstract : Bartolucci_2010_J.Med.Chem_53_745 |
| ESTHER : Bartolucci_2010_J.Med.Chem_53_745 |
| PubMedSearch : Bartolucci_2010_J.Med.Chem_53_745 |
| PubMedID: 20025280 |
| Gene_locus related to this paper: torca-ACHE |