TPPU-6-Chlorotacrine-12c
12c human hsEH IC50 (nM) 4.6 human AChE IC50 (nM) 12.9+/- 1.6 human BChE IC50 (nM) 179+/-90 Mouse msEH IC50 (nM) 22.5 Mouse mAChE IC50 (nM) 4.12+/-0.23
General
Type : Multitarget,Derivative of Tacrine,Trifluoro,Piperidine,Urea derivative,Alkyl linked bis-ligand
Chemical_Nomenclature : 1-[1-[5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCC(=O)N4CCC(CC4)NC(=O)NC5=CC=C(C=C5)OC(F)(F)F
InChI : InChI=1S\/C31H35ClF3N5O3\/c32-20-8-13-25-27(19-20)39-26-6-2-1-5-24(26)29(25)36-16-4-3-7-28(41)40-17-14-22(15-18-40)38-30(42)37-21-9-11-23(12-10-21)43-31(33,34)35\/h8-13,19,22H,1-7,14-18H2,(H,36,39)(H2,37,38,42)
InChIKey : LCWAVZISUIFMQY-UHFFFAOYSA-N
Other name(s) : 12c,SCHEMBL22470478
MW : 618.1
Formula : C31H35ClF3N5O3
CAS_number :
PubChem : 155146568
UniChem : LCWAVZISUIFMQY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : TPPU-6-Chlorotacrine-12c ligand of proteins in family: Epoxide_hydrolase || ACHE
Stucture :
Protein : human-EPHX2 || human-ACHE
References (1)
| Title : Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease - Codony_2022_J.Med.Chem_65_4909 |
| Author(s) : Codony S , Pont C , Grinan-Ferre C , Di Pede-Mattatelli A , Calvo-Tusell C , Feixas F , Osuna S , Jarne-Ferrer J , Naldi M , Bartolini M , Loza MI , Brea J , Perez B , Bartra C , Sanfeliu C , Juarez-Jimenez J , Morisseau C , Hammock BD , Pallas M , Vazquez S , Munoz-Torrero D |
| Ref : Journal of Medicinal Chemistry , 65 :4909 , 2022 |
| Abstract : Codony_2022_J.Med.Chem_65_4909 |
| ESTHER : Codony_2022_J.Med.Chem_65_4909 |
| PubMedSearch : Codony_2022_J.Med.Chem_65_4909 |
| PubMedID: 35271276 |