AChE-HDAC-IN-1
Displayed potent and selective inhibition of HDAC, AChE and BuChE enzymes at subnanomolar range with IC50 of 0.23, 0.12 and 361.52 nM, towards HDAC, AChE and BuChE, respectively and showed inhibitory activity on Abeta42 self-aggregation and disaggregation activity on pre-formed Abeta fibrils. Has antioxidant activity. It is an inhibitor of isoforms of HDAC with IC50 values of 74.22, 134.7, 31.63 and 33.42 nM, against HDAC1, HDAC2, HDAC3 and HDAC6, respectively
General
Type : Multitarget, HDAC inhibitor, Derivative of Tacrine, anti-Abeta-aggregation, Antioxidant
Chemical_Nomenclature : N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCNC(=O)C4=CC=C(C=C4)\/C=C\/C(=O)NO
InChI : InChI=1S\/C26H27ClN4O3\/c27-19-11-12-21-23(16-19)30-22-5-2-1-4-20(22)25(21)28-14-3-15-29-26(33)18-9-6-17(7-10-18)8-13-24(32)31-34\/h6-13,16,34H,1-5,14-15H2,(H,28,30)(H,29,33)(H,31,32)\/b13-8+
InChIKey : WNEPUZILCBHSEU-MDWZMJQESA-N
Other name(s) : HY-147962 || CS-0530460
MW : 479
Formula : C26H27ClN4O3
CAS_number : 2414053-06-6
PubChem : 155666154
UniChem : WNEPUZILCBHSEU-MDWZMJQESA-N
Target
Families : AChE-HDAC-IN-1 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Tacrine-hydroxamate derivatives as multitarget-directed ligands for the treatment of Alzheimer's disease: Design, synthesis, and biological evaluation - Xu_2020_Bioorg.Chem_98_103721 |
| Author(s) : Xu A , He F , Zhang X , Li X , Ran Y , Wei C , James Chou C , Zhang R , Wu J |
| Ref : Bioorg Chem , 98 :103721 , 2020 |
| Abstract : |
| PubMedSearch : Xu_2020_Bioorg.Chem_98_103721 |
| PubMedID: 32193030 |