Tetracyclic-triterpene-36e
36e IC50 nM EeAChE 6+/-0.5 hAChE 3+/-0.2 hBChE 477+/-35. Nanomolar range AChE inhibition and show ability to block the AChE-induced A-beta aggregation.close to Betulinic-acid derived from buxidine
General
Type : Terpenoid,Natural_modified,anti-Abeta-aggregation,Sulfur Compound
Chemical_Nomenclature : (1R,3R,6R,7S,8R,10S,11S,14R,15S,20S)-8-hydroxy-7-[(1S)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-6,10,15-trimethyl-18-propan-2-yl-17-thia-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docos-18-en-4-one
Canonical SMILES : CC(C)C1=NC2CCC34CC35C(CCC4C2(CS1)C)C6(CC(C(C6(CC5=O)C)C(C)N(C)CC7=CC(=CC=C7)OC)O)C
InChI : InChI=1S\/C37H54N2O3S\/c1-22(2)32-38-29-14-15-36-20-37(36)28(13-12-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-10-9-11-25(16-24)42-8\/h9-11,16,22-23,26-29,31,40H,12-15,17-21H2,1-8H3\/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-\/m0\/s1
InChIKey : MNADYPWSJDDNJK-SGOUQRLHSA-N
Other name(s) : CHEMBL1783514,BDBM50346357,20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydroxy-4beta,14alpha-dimethyl-9,19-cyclo-{2''-isopropyl-5'',6''-dihydro-4''aH-[1'',3'']thiazino[4'',5'':3,4]}-5alpha,9beta-pregnan-11-one
MW : 606.9
Formula : C37H54N2O3S
CAS_number :
PubChem : 54587253
UniChem : MNADYPWSJDDNJK-SGOUQRLHSA-N
IUPHAR :
Wikipedia :
Target
Families : Tetracyclic-triterpene-36e ligand of proteins in family: ACHE
Stucture :
Protein : human-ACHE
References (1)
| Title : New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid beta aggregation - Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| Author(s) : Rouleau J , Iorga BI , Guillou C |
| Ref : Eur Journal of Medicinal Chemistry , 46 :2193 , 2011 |
| Abstract : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| ESTHER : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| PubMedSearch : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| PubMedID: 21435752 |