Bisuracil-pentylammonium-2h
slow-binding inhibitor of AChE and possess a long drug-target residence time AChE IC50 0.2 +/- 0.01 nm, BCHE 40+/-1.6 microM. Tested in myasthenia gravis rat model
General
Type : Trifluoro,Uracil derivative
Chemical_Nomenclature : 1,6-{(3,6-Dimethyluracil-1-yl)-[3-(5-o-trifluoromethylbenzyl(diethyl)ammo-nio)pentyl)uracil-1-yl]}hexane bromide
Canonical SMILES : C1=C(N(C(N(C1=O)C)=O)CCCCCN2C(N(C(C=C2)=O)CCCCC[N+](CC)(CC)CC3=CC=CC=C3C(F)(F)F)=O)C
InChI : InChI=1S\/C32H45F3N5O4\/c1-5-40(6-2,24-26-15-9-10-16-27(26)32(33,34)35)22-14-8-13-20-39-28(41)17-21-37(31(39)44)18-11-7-12-19-38-25(3)23-29(42)36(4)30(38)43\/h9-10,15-17,21,23H,5-8,11-14,18-20,22,24H2,1-4H3\/q+1
InChIKey : TWAKAROQERVMNE-UHFFFAOYSA-N
Other name(s) :
MW : 620.73
Formula : C32H45F3N5O4+ || C32H45BrF3N5O4
CAS_number :
PubChem :
UniChem : TWAKAROQERVMNE-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
References (1)
| Title : Novel slow-binding reversible acetylcholinesterase inhibitors based on uracil moieties for possible treatment of myasthenia gravis and protection from organophosphate poisoning - Saifina_2022_Eur.J.Med.Chem_246_114949 |
| Author(s) : Saifina LF , Abdalla M , Gubaidullina LM , Zueva IV , Eltayb WA , El-Arabey AA , Kharlamova AD , Lenina OA , Semenov VE , Petrov KA |
| Ref : Eur Journal of Medicinal Chemistry , 246 :114949 , 2022 |
| Abstract : Saifina_2022_Eur.J.Med.Chem_246_114949 |
| ESTHER : Saifina_2022_Eur.J.Med.Chem_246_114949 |
| PubMedSearch : Saifina_2022_Eur.J.Med.Chem_246_114949 |
| PubMedID: 36462442 |