Xanthostigmine
General
Chemical_Nomenclature : [3-[[methyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] N-methylcarbamate
Canonical SMILES : CNC(=O)OC1=CC=CC(=C1)CN(C)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3
InChI : InChI=1S\/C26H26N2O5\/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29\/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)
InChIKey : DNSUFPJFKSCBRT-UHFFFAOYSA-N
Other name(s) : CHEMBL340427, BDBM10692, [3-[[methyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] N-methylcarbamate, 3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-methylcarbamate
MW : 446.5
Formula : C26H26N2O5
CAS_number :
PubChem : 10765787
UniChem : DNSUFPJFKSCBRT-UHFFFAOYSA-N
Target
References (7)
| Title : Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening - Gupta_2014_Biomed.Res.Int_2014_291214 |
| Author(s) : Gupta S , Mohan CG |
| Ref : Biomed Res Int , 2014 :291214 , 2014 |
| PubMedID: 25050335 |
| Title : A review on cholinesterase inhibitors for Alzheimer's disease - Anand_2013_Arch.Pharm.Res_36_375 |
| Author(s) : Anand P , Singh B |
| Ref : Arch Pharm Res , 36 :375 , 2013 |
| PubMedID: 23435942 |
| Title : Structure-activity relationships and binding mode in the human acetylcholinesterase active site of pseudo-irreversible inhibitors related to xanthostigmine - Rizzo_2009_ChemMedChem_4_670 |
| Author(s) : Rizzo S , Cavalli A , Ceccarini L , Bartolini M , Belluti F , Bisi A , Andrisano V , Recanatini M , Rampa A |
| Ref : ChemMedChem , 4 :670 , 2009 |
| PubMedID: 19222043 |
| Title : Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[omega-(benzylmethylamino)alkoxy]xanthen-9-ones - Piazzi_2007_Bioorg.Med.Chem_15_575 |
| Author(s) : Piazzi L , Belluti F , Bisi A , Gobbi S , Rizzo S , Bartolini M , Andrisano V , Recanatini M , Rampa A |
| Ref : Bioorganic & Medicinal Chemistry , 15 :575 , 2007 |
| PubMedID: 17008100 |
| Title : Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation - Belluti_2005_J.Med.Chem_48_4444 |
| Author(s) : Belluti F , Rampa A , Piazzi L , Bisi A , Gobbi S , Bartolini M , Andrisano V , Cavalli A , Recanatini M , Valenti P |
| Ref : Journal of Medicinal Chemistry , 48 :4444 , 2005 |
| PubMedID: 15974596 |
| Title : Acetylcholinesterase Inhibitors: SAR and Kinetic Studies on omega-[N-Methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl Derivatives - Rampa_2001_J.Med.Chem_44_3810 |
| Author(s) : Rampa A , Piazzi L , Belluti F , Gobbi S , Bisi A , Bartolini M , Andrisano V , Cavrini V , Cavalli A , Recanatini M , Valenti P |
| Ref : Journal of Medicinal Chemistry , 44 :3810 , 2001 |
| PubMedID: 11689067 |
| Title : Acetylcholinesterase Inhibitors: Synthesis and Structure-Activity Relationships of omega-[N-Methyl-N-(3-alkylcarbamoyloxyphenyl)- methyl]aminoalkoxyheteroaryl Derivatives - Rampa_1998_J.Med.Chem_41_3976 |
| Author(s) : Rampa A , Bisi A , Valenti P , Recanatini M , Cavalli A , Andrisano V , Cavrini V , Fin L , Buriani A , Giusti P |
| Ref : Journal of Medicinal Chemistry , 41 :3976 , 1998 |
| PubMedID: 9767635 |