3-benzyl-4-tridecyloxetan-2-one-trans5c
Not specific ABHD16A, ABHD2, CES2, and ABHD12 (all inhibited > 90%). A second set of enzymes that included FASN and ABHD3 nhibited from 7090%, two not alpha beta hydrolases also inhibited PNPLA4, FAAH
General
Type : Tridecyl, Lactone, Oxooxetan
Chemical_Nomenclature : (3R)-3-benzyl-4-tridecyloxetan-2-one
Canonical SMILES : C(CCCCCCCCCCC1[C@H](C(O1)=O)CC2=CC=CC=C2)CC
InChI : InChI=1S\/C23H36O2\/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-21(23(24)25-22)19-20-16-13-12-14-17-20\/h12-14,16-17,21-22H,2-11,15,18-19H2,1H3\/t21-,22?\/m1\/s1
InChIKey : KVAIASRMIJJIDD-ZMFCMNQTSA-N
Other name(s) : (cis\/trans)-3-Benzyl-4-tridecyloxetan-2-one || trans\/cis-5c || trans-5c
Target
Families : 3-benzyl-4-tridecyloxetan-2-one-trans5c ligand of proteins in family
Carb_B_Chordata
abh_upf0017
ABHD12-PHARC
ABHD16
Thioesterase
Protein :
human-ABHD16A
human-ABHD2
human-CES2
human-ABHD12
human-FASN
human-ABHD3
References (1)
| Title : Combining cross-metathesis and activity-based protein profiling: New beta-lactone motifs for targeting serine hydrolases - Camara_2015_Bioorg.Med.Chem.Lett_25_317 |
| Author(s) : Camara K , Kamat SS , Lasota CC , Cravatt BF , Howell AR |
| Ref : Bioorganic & Medicinal Chemistry Lett , 25 :317 , 2015 |
| Abstract : |
| PubMedSearch : Camara_2015_Bioorg.Med.Chem.Lett_25_317 |
| PubMedID: 25541002 |