BChE-IN-39
IC50 AChE 3.98 +/-0.21 microM; IC50 BChE 0.08 +/- 0.01 microM
General
Type : Pyridine, Indole, Isoindole
Chemical_Nomenclature : 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-3-yl]methyl]benzamide || 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[1-[(3-fluorophenyl)methyl]pyridin-1-ium-3-yl]methyl]benzamide chloride
Canonical SMILES : C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)NCC4=C[N+](=CC=C4)CC5=CC(=CC=C5)F || C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)NCC4=C[N+](=CC=C4)CC5=CC(=CC=C5)F.[Cl-]
InChI : InChI=1S\/C29H22FN3O3\/c30-24-7-3-5-21(15-24)17-32-14-4-6-22(18-32)16-31-27(34)23-12-10-20(11-13-23)19-33-28(35)25-8-1-2-9-26(25)29(33)36\/h1-15,18H,16-17,19H2\/p+1 || InChI=1S\/C29H22FN3O3.ClH\/c30-24-7-3-5-21(15-24)17-32-14-4-6-22(18-32)16-31-27(34)23-12-10-20(11-13-23)19-33-28(35)25-8-1-2-9-26(25)29(33)36\;\/h1-15,18H,16-17,19H2\;1H
InChIKey : JRSCBHDRPQVITG-UHFFFAOYSA-O || JFPVFHXAPIFVGC-UHFFFAOYSA-N
Other name(s) : Compound 7c || orb2945966 || HY-170389 || T204121
MW : 480.5 || 516.0
Formula : C29H23FN3O3+ || C29H23ClFN3O3
CAS_number :
PubChem : 172676968, 172676967
UniChem : JRSCBHDRPQVITG-UHFFFAOYSA-O, JFPVFHXAPIFVGC-UHFFFAOYSA-N
Target
Families : BChE-IN-39 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Isoindolinedione-Benzamide Pyridinium Derivatives for Targeting Alzheimer's Disease - Noori_2024_ACS.Omega_9_48032 |
| Author(s) : Noori M , Khalili Ghomi M , Dastyafteh N , Oliyaei N , Hamedifar H , Javanshir S , Tanideh N , Sattarinezhad E , Sattari F , Haghani M , Rahmani H , Larijani B , Mahdavi M , Hajimiri MH , Iraji A |
| Ref : ACS Omega , 9 :48032 , 2024 |
| Abstract : |
| PubMedSearch : Noori_2024_ACS.Omega_9_48032 |
| PubMedID: 39676969 |