Dicyclohexylethanedione
hCES1 Ki 0.005 microM
General
Type : Aromatic dione
Chemical_Nomenclature : 1,2-dicyclohexylethane-1,2-dione
Canonical SMILES : C1CCC(CC1)C(=O)C(=O)C2CCCCC2
InChI : InChI=1S\/C14H22O2\/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12\/h11-12H,1-10H2
InChIKey : ZWDFMOMBVDVEHE-UHFFFAOYSA-N
Other name(s) : 1,2-dicyclohexyl-1,2-ethanedione || 1,2-dicyclohexyl-ethane-1,2-dione || 1,2-Dicyclohexylethanedione || 1,2-Dione-Based Compound, 7 || CHEMBL235287
MW : 222.32
Formula : C14H22O2
CAS_number : 951-88-2
PubChem : 11806279
UniChem : ZWDFMOMBVDVEHE-UHFFFAOYSA-N
Target
Families : Dicyclohexylethanedione ligand of proteins in family
Carb_B_Chordata
Carboxylesterase
Protein :
human-CES1
References (2)
| Title : Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones - Parkinson_2011_Bioorg.Med.Chem_19_4635 |
| Author(s) : Parkinson EI , Hatfield MJ , Tsurkan L , Hyatt JL , Edwards CC , Hicks LD , Yan B , Potter PM |
| Ref : Bioorganic & Medicinal Chemistry , 19 :4635 , 2011 |
| Abstract : |
| PubMedSearch : Parkinson_2011_Bioorg.Med.Chem_19_4635 |
| PubMedID: 21733699 |
| Title : Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1 - Hyatt_2007_J.Med.Chem_50_5727 |
| Author(s) : Hyatt JL , Wadkins RM , Tsurkan L , Hicks LD , Hatfield MJ , Edwards CC , Ross CR, 2nd , Cantalupo SA , Crundwell G , Danks MK , Guy RK , Potter PM |
| Ref : Journal of Medicinal Chemistry , 50 :5727 , 2007 |
| Abstract : |
| PubMedSearch : Hyatt_2007_J.Med.Chem_50_5727 |
| PubMedID: 17941623 |