BChE-PDE9A-IN-Cpd6c
Dual carbamate inhibitor of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A) and BChE IC50 PDE9A 0.014 microM; equine BChE IC50 3.3 microM
General
Type : Carbamate, Pyrimidine, Phosphodiesterase-IN, Multitarget, Pyrazole
Chemical_Nomenclature : [4-[[(1-cyclopentyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]methyl]-2-methoxyphenyl] N-ethyl-N-methylcarbamate
Canonical SMILES : CCN(C)C(=O)OC1=C(C=C(C=C1)CNC2=NC3=C(C=NN3C4CCCC4)C(=O)N2)OC
InChI : InChI=1S\/C22H28N6O4\/c1-4-27(2)22(30)32-17-10-9-14(11-18(17)31-3)12-23-21-25-19-16(20(29)26-21)13-24-28(19)15-7-5-6-8-15\/h9-11,13,15H,4-8,12H2,1-3H3,(H2,23,25,26,29)
InChIKey : NEWFCVAVIWJNER-UHFFFAOYSA-N
Other name(s) : Compound 6c || CHEMBL5221005 || BDBM50606804
MW : 440.5
Formula : C22H28N6O4
CAS_number :
PubChem : 168298170
UniChem : NEWFCVAVIWJNER-UHFFFAOYSA-N
Target
Families : BChE-PDE9A-IN-Cpd6c ligand of proteins in family
BCHE
Protein :
human-BCHE
References (2)
| Title : Recent advance on carbamate-based cholinesterase inhibitors as potential multifunctional agents against Alzheimer's disease - Zhang_2022_Eur.J.Med.Chem_240_114606 |
| Author(s) : Zhang H , Wang Y , Li X , Wang S , Wang Z |
| Ref : Eur Journal of Medicinal Chemistry , 240 :114606 , 2022 |
| Abstract : |
| PubMedSearch : Zhang_2022_Eur.J.Med.Chem_240_114606 |
| PubMedID: 35858523 |
| Title : Discovery of Novel Pyrazolopyrimidinone Derivatives as Phosphodiesterase 9A Inhibitors Capable of Inhibiting Butyrylcholinesterase for Treatment of Alzheimer's Disease - Yu_2017_ACS.Chem.Neurosci_8_2522 |
| Author(s) : Yu YF , Huang YD , Zhang C , Wu XN , Zhou Q , Wu D , Wu Y , Luo HB |
| Ref : ACS Chem Neurosci , 8 :2522 , 2017 |
| Abstract : |
| PubMedSearch : Yu_2017_ACS.Chem.Neurosci_8_2522 |
| PubMedID: 28783948 |