Pyrazolone-27
non-competitive inhibition. human-CES2 IC50 0.13 +/- 0.01 microM
General
Type : Pyrazole
Chemical_Nomenclature : 1-cyclohexyl-4-(4-methylbenzyl)-3-p-tolyl-1H-pyrazol-5(4H)-one
Canonical SMILES : N1=C(C(C(N1C2CCCCC2)=O)CC3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI : InChI=1S\/C24H28N2O\/c1-17-8-12-19(13-9-17)16-22-23(20-14-10-18(2)11-15-20)25-26(24(22)27)21-6-4-3-5-7-21\/h8-15,21-22H,3-7,16H2,1-2H3
InChIKey : WIXUXAFPTNJYDK-UHFFFAOYSA-N
Other name(s) :
MW : 360.49
Formula : C24H28N2O
CAS_number :
PubChem :
UniChem : WIXUXAFPTNJYDK-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Pyrazolone-27 ligand of proteins in family: Carb_B_Chordata
Stucture :
Protein : human-CES2
References (1)
| Title : Discovery of pyrazolones as novel carboxylesterase 2 inhibitors that potently inhibit the adipogenesis in cells - Qian_2021_Bioorg.Med.Chem_40_116187 |
| Author(s) : Qian XK , Zhang J , Song PF , Zhao YS , Ma HY , Jin Q , Wang DD , Guan XQ , Li SY , Bao X , Zou LW |
| Ref : Bioorganic & Medicinal Chemistry , 40 :116187 , 2021 |
| Abstract : Qian_2021_Bioorg.Med.Chem_40_116187 |
| ESTHER : Qian_2021_Bioorg.Med.Chem_40_116187 |
| PubMedSearch : Qian_2021_Bioorg.Med.Chem_40_116187 |
| PubMedID: 33965840 |