6-(4-4-phenethylpiperazin-1-yl)heptyl-THAI-14d
General
Type : Indole, Azepane, Piperazine, Multitarget, Alkyl linked bis-ligand, anti-Abeta-aggregation
Chemical_Nomenclature : 6-(7-(4-4-phenethylpiperazin-1-yl)heptyl)-2,3,4,5-tetrahydroazepino [4,3-b]indol-1(6H)-one || 6-[7-[4-(2-phenylethyl)piperazin-1-yl]heptyl]-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
Canonical SMILES : C1=CC=C2C(=C1)C5=C([N]2CCCCCCCN3CCN(CC3)CCC4=CC=CC=C4)CCCNC5=O || C1CC2=C(C3=CC=CC=C3N2CCCCCCCN4CCN(CC4)CCC5=CC=CC=C5)C(=O)NC1
InChI : InChI=1S\/C31H42N4O\/c36-31-30-27-14-7-8-15-28(27)35(29(30)16-11-18-32-31)20-10-3-1-2-9-19-33-22-24-34(25-23-33)21-17-26-12-5-4-6-13-26\/h4-8,12-15H,1-3,9-11,16-25H2,(H,32,36)
InChIKey : PHUHOIDFUZYNAU-UHFFFAOYSA-N
Other name(s) : Compound 14d || BChE-IN-31 || HY-163441 || CS-1046528
MW : 486.69
Formula : C31H42N4O
CAS_number :
PubChem : 171364417
UniChem : PHUHOIDFUZYNAU-UHFFFAOYSA-N
heptyl-THAI-14d.gif)
Target
Families : 6-(4-4-phenethylpiperazin-1-yl)heptyl-THAI-14d ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Novel 6-alkyl-bridged 4-arylalkylpiperazin-1-yl derivatives of azepino[4,3-b]indol-1(2H)-one as potent BChE-selective inhibitors showing protective effects against neurodegenerative insults - Samarelli_2024_Eur.J.Med.Chem_270_116353 |
| Author(s) : Samarelli F , Purgatorio R , Lopopolo G , Deruvo C , Catto M , Andresini M , Carrieri A , Nicolotti O , De Palma A , Miniero DV , de Candia M , Altomare CD |
| Ref : Eur Journal of Medicinal Chemistry , 270 :116353 , 2024 |
| Abstract : |
| PubMedSearch : Samarelli_2024_Eur.J.Med.Chem_270_116353 |
| PubMedID: 38579622 |