Dihydrobenzodioxepine-cymeserine
hBCHE IC50 0.015 microM
General
Type : Derivative of physostigmine-eserine,Carbamate
Chemical_Nomenclature : [(1S)-1-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl] N-(4-propan-2-ylphenyl)carbamate
Canonical SMILES : CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)OC4CC3(CO4)C
InChI : InChI=1S\/C21H23NO4\/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(10-16)21(3)11-19(26-18)24-12-21\/h4-10,13,19H,11-12H2,1-3H3,(H,22,23)\/t19?,21-\/m1\/s1
InChIKey : KOFCNZPCQOBXHD-VGAJERRHSA-N
Other name(s) : dihydrobenzodioxepinecymeserine,dihydrobenzodioxepine cymeserine,Benzodioxepine Carbamate 13a,BDBM10627,(+)-(5S)-5-methyl-4,5-dihydro-2,5-methano-1,3-benzodioxepin-7-yl N-(p-Isopropylphenyl)carbamate,(1S)-1-methyl-8,10-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl N-[4-(propan-2-yl)phenyl]carbamate
MW : 353.4
Formula : C21H23NO4
CAS_number :
PubChem : 23645293
UniChem : KOFCNZPCQOBXHD-VGAJERRHSA-N
IUPHAR :
Wikipedia :
Target
Families : Dihydrobenzodioxepine-cymeserine ligand of proteins in family: BCHE
Stucture :
Protein : human-BCHE
References (2)
| Title : Kinetics of human serum butyrylcholinesterase inhibition by a novel experimental Alzheimer therapeutic, dihydrobenzodioxepine cymserine - Kamal_2008_Neurochem.Res_33_745 |
| Author(s) : Kamal MA , Klein P , Luo W , Li Y , Holloway HW , Tweedie D , Greig NH |
| Ref : Neurochem Res , 33 :745 , 2008 |
| Abstract : Kamal_2008_Neurochem.Res_33_745 |
| ESTHER : Kamal_2008_Neurochem.Res_33_745 |
| PubMedSearch : Kamal_2008_Neurochem.Res_33_745 |
| PubMedID: 17985237 |
| Title : Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine - Luo_2006_J.Med.Chem_49_2174 |
| Author(s) : Luo W , Yu QS , Kulkarni SS , Parrish DA , Holloway HW , Tweedie D , Shafferman A , Lahiri DK , Brossi A , Greig NH |
| Ref : Journal of Medicinal Chemistry , 49 :2174 , 2006 |
| Abstract : Luo_2006_J.Med.Chem_49_2174 |
| ESTHER : Luo_2006_J.Med.Chem_49_2174 |
| PubMedSearch : Luo_2006_J.Med.Chem_49_2174 |
| PubMedID: 16570913 |