Cyclohexylmethylcarbamate-phenethylnorphysostigmine-3u
IC50 AChE 2500 nM IC50 BChE 1.8nM
General
Type : Derivative of physostigmine-eserine, Carbamate
Chemical_Nomenclature : [(8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-cyclohexylcarbamate
Canonical SMILES : C[C@@]12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4CCCCC4)C)CCC5=CC=CC=C5
InChI : InChI=1S\/C27H35N3O2\/c1-27-16-18-30(17-15-20-9-5-3-6-10-20)25(27)29(2)24-14-13-22(19-23(24)27)32-26(31)28-21-11-7-4-8-12-21\/h3,5-6,9-10,13-14,19,21,25H,4,7-8,11-12,15-18H2,1-2H3,(H,28,31)\/t25?,27-\/m0\/s1
InChIKey : SRVYFUQBPJZPMS-GPNIZQGCSA-N
Other name(s) :
MW : 433.6
Formula : C27H35N3O2
CAS_number :
PubChem : 46235985
UniChem : SRVYFUQBPJZPMS-GPNIZQGCSA-N
Target
Families : Cyclohexylmethylcarbamate-phenethylnorphysostigmine-3u ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Design, synthesis and evaluation of carbamate-modified (-)-N(1)-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors - Takahashi_2010_Bioorg.Med.Chem.Lett_20_1721 |
| Author(s) : Takahashi J , Hijikuro I , Kihara T , Murugesh MG , Fuse S , Tsumura Y , Akaike A , Niidome T , Takahashi T , Sugimoto H |
| Ref : Bioorganic & Medicinal Chemistry Lett , 20 :1721 , 2010 |
| Abstract : |
| PubMedSearch : Takahashi_2010_Bioorg.Med.Chem.Lett_20_1721 |
| PubMedID: 20137941 |