XB8-8CGO
Derivative of Amaryllidaceae alkaloid carltonine: hBChE IC50 = 3.8 +/- 0.2 nM
General
Type : Alkaloid, Natural_modified
Chemical_Nomenclature : N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine
Canonical SMILES : C1(=C(C(=CC=C1)OC)OCC2=CC=CC=C2)CN(CCCC3=C(C=CC=C3)F)C4CCC4
InChI : InChI=1S\/C28H32FNO2\/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29\/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3
InChIKey : KZOIYQAEEQKJSB-UHFFFAOYSA-N
Other name(s) : XB8 || Compound87 || ~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
MW : 433.56
Formula : C28H32FNO2
CAS_number :
PubChem : 168300967
UniChem : KZOIYQAEEQKJSB-UHFFFAOYSA-N
References (1)
| Title : Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation - Pidany_2023_Eur.J.Med.Chem_252_115301 |
| Author(s) : Pidany F , Kroustkova J , Al Mamun A , Suchankova D , Brazzolotto X , Nachon F , Chantegreil F , Dolezal R , Pulkrabkova L , Muckova L , Hrabinova M , Finger V , Kufa M , Soukup O , Jun D , Jenco J , Kunes J , Novakova L , Korabecny J , Cahlikova L |
| Ref : Eur Journal of Medicinal Chemistry , 252 :115301 , 2023 |
| Abstract : |
| PubMedSearch : Pidany_2023_Eur.J.Med.Chem_252_115301 |
| PubMedID: 36996715 |
| Gene_locus related to this paper: human-BCHE |