BChE-HDAC6-IN-1
Derived from S11-1014 designed by the sme group. IC(50) against hBChE 4 nM; HDAC6 IC(50) against HDAC6 8.9 nM
General
Type : Multitarget, HDAC inhibitor, Benzamide, Carboxamide
Chemical_Nomenclature : N-[3-[[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]carbamoyl]phenyl]-N'-hydroxyoctanediamide
Canonical SMILES : CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)NO
InChI : InChI=1S\/C34H43N5O5\/c1-3-39(4-2)24-28-14-10-9-13-27(28)23-35-33(42)25-15-11-18-30(21-25)37-34(43)26-16-12-17-29(22-26)36-31(40)19-7-5-6-8-20-32(41)38-44\/h9-18,21-22,44H,3-8,19-20,23-24H2,1-2H3,(H,35,42)(H,36,40)(H,37,43)(H,38,41)
InChIKey : SXQWWCZAJUYHPA-UHFFFAOYSA-N
Other name(s) : BChE\/HDAC6-IN-1 || 24g || HY-149417 || CS-0887681
MW : 601.7
Formula : C27H30N4O4 || C34H43N5O5
CAS_number : 2925457-27-6
PubChem : 168510548, 168510547
UniChem : SXQWWCZAJUYHPA-UHFFFAOYSA-N
Target
Families : BChE-HDAC6-IN-1 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Design, Synthesis, and Proof of Concept of Balanced Dual Inhibitors of Butyrylcholinesterase (BChE) and Histone Deacetylase 6 (HDAC6) for the Treatment of Alzheimer's Disease - Wang_2023_ACS.Chem.Neurosci__ |
| Author(s) : Wang L , Sun T , Wang Z , Liu H , Qiu W , Tang X , Guo H , Yang P , Chen Y , Sun H |
| Ref : ACS Chem Neurosci , : , 2023 |
| Abstract : |
| PubMedSearch : Wang_2023_ACS.Chem.Neurosci__ |
| PubMedID: 37561893 |