N-dodecyl-pyridinyl-1,3,4-thiadiazol-amine-3t
IC50 12.78 +/- 0.03 microM for AChE; IC50 53.05 +/- 3.68 microM for BChE
General
Type : Sulfur Compound,Pyridine,Thiadiazol
Chemical_Nomenclature : N-dodecyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine
Canonical SMILES : N1=C(SC(=N1)NCCCCCCCCCCCC)C2=CC=NC=C2
InChI : InChI=1S\/C19H30N4S\/c1-2-3-4-5-6-7-8-9-10-11-14-21-19-23-22-18(24-19)17-12-15-20-16-13-17\/h12-13,15-16H,2-11,14H2,1H3,(H,21,23)
InChIKey : XHKPSWZAUIQOTM-UHFFFAOYSA-N
Other name(s) : 3t
MW : 346.53
Formula : C19H30N4S
CAS_number :
PubChem :
UniChem : XHKPSWZAUIQOTM-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : N-dodecyl-pyridinyl-1,3,4-thiadiazol-amine-3t ligand of proteins in family: ACHE
Stucture :
Protein : human-ACHE
References (1)
| Title : 5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study - Pflegr_2022_Pharmaceuticals.(Basel)_15_400 |
| Author(s) : Pflegr V , Stepankova S , Svrckova K , Svarcova M , Vinsova J , Kratky M |
| Ref : Pharmaceuticals (Basel) , 15 :400 , 2022 |
| Abstract : Pflegr_2022_Pharmaceuticals.(Basel)_15_400 |
| ESTHER : Pflegr_2022_Pharmaceuticals.(Basel)_15_400 |
| PubMedSearch : Pflegr_2022_Pharmaceuticals.(Basel)_15_400 |
| PubMedID: 35455397 |