Octhilinone
A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. IC(50) 151 +/- 17 nM
General
Type : Thiazolinone,Sulfur Compound
Chemical_Nomenclature : 2-octyl-1,2-thiazol-3-one
Canonical SMILES : CCCCCCCCN1C(=O)C=CS1
InChI : InChI=1S\/C11H19NOS\/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12\/h8,10H,2-7,9H2,1H3
InChIKey : JPMIIZHYYWMHDT-UHFFFAOYSA-N
Other name(s) : octyl-isothiazolinone,2-octylisothiazol-3(2H)-one,2-n-Octyl-4-isothiazolin-3-one,2-Octyl-4-isothiazolin-3-one,Kathon 893,Skane M-8,CHEBI:81936,SCHEMBL15648,ZINC2012904
MW : 213.34
Formula : C11H19NOS
CAS_number : 26530-20-1
PubChem : 33528
UniChem : JPMIIZHYYWMHDT-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Octhilinone ligand of proteins in family: Monoglyceridelipase_lysophospholip
Stucture :
Protein : human-MGLL
References (3)
| Title : Benzisothiazolinone derivatives as potent allosteric monoacylglycerol lipase inhibitors that functionally mimic sulfenylation of regulatory cysteines - Castelli_2020_J.Med.Chem_63_1261 |
| Author(s) : Castelli R , Scalvini L , Vacondio F , Lodola A , Anselmi M , Vezzosi S , Carmi C , Bassi M , Ferlenghi F , Rivara S , Moller IR , Rand KD , Daglian J , Wei D , Dotsey EY , Ahmed F , Jung KM , Stella N , Singh S , Mor M , Piomelli D |
| Ref : Journal of Medicinal Chemistry , 63 :1261 , 2020 |
| Abstract : Castelli_2020_J.Med.Chem_63_1261 |
| ESTHER : Castelli_2020_J.Med.Chem_63_1261 |
| PubMedSearch : Castelli_2020_J.Med.Chem_63_1261 |
| PubMedID: 31714779 |
| Title : Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone - Matuszak_2011_Bioorg.Med.Chem.Lett_21_7321 |
| Author(s) : Matuszak N , Es Saadi B , Labar G , Marchand-Brynaert J , Lambert DM |
| Ref : Bioorganic & Medicinal Chemistry Lett , 21 :7321 , 2011 |
| Abstract : Matuszak_2011_Bioorg.Med.Chem.Lett_21_7321 |
| ESTHER : Matuszak_2011_Bioorg.Med.Chem.Lett_21_7321 |
| PubMedSearch : Matuszak_2011_Bioorg.Med.Chem.Lett_21_7321 |
| PubMedID: 22056744 |
| Gene_locus related to this paper: human-ABHD6 |
| Title : A critical cysteine residue in monoacylglycerol lipase is targeted by a new class of isothiazolinone-based enzyme inhibitors - King_2009_Br.J.Pharmacol_157_974 |
| Author(s) : King AR , Lodola A , Carmi C , Fu J , Mor M , Piomelli D |
| Ref : British Journal of Pharmacology , 157 :974 , 2009 |
| Abstract : King_2009_Br.J.Pharmacol_157_974 |
| ESTHER : King_2009_Br.J.Pharmacol_157_974 |
| PubMedSearch : King_2009_Br.J.Pharmacol_157_974 |
| PubMedID: 19486005 |
| Gene_locus related to this paper: human-ABHD6 |