title: Environmentally benign synthesis, molecular properties prediction and anti-inflammatory activity of novel isoxazolo[5,4-d]isoxazol-3-yl-aryl-methanones via vinylogous Henry nitroaldol adducts as synthons.
abstract: Synthesis of novel 6-methylisoxazolo[5,4-d]isoxazol-3-yl-aryl-methanones 5 has been achieved via nitro-nitrite rearrangement by utilizing vinylogous nitroaldol adducts as synthons under mild conditions. Furthermore, the new series of compounds 5a-i were assessed for molecular properties prediction, drug-likeness by Molinspiration (Molinspiration, 2008) & MolSoft (MolSoft, 2007) softwares, lipophilicity and solubility parameters using ALOGPS 2.1 program. The new series of compounds 5a-i were screened for their anti-inflammatory activity.
authors.affiliation: Department of Chemistry, Kakatiya University, Warangal, 506 009 AP, India. Electronic address: rajanarendareligeti@gmail.com.
authors.forename: E
authors.initials: E
authors.lastname: Rajanarendar
authors.affiliation: Department of Chemistry, Kakatiya University, Warangal, 506 009 AP, India.
authors.forename: S
authors.initials: S
authors.lastname: Rama Krishna
authors.affiliation: Department of Chemistry, Kakatiya University, Warangal, 506 009 AP, India.
authors.forename: D
authors.initials: D
authors.lastname: Nagaraju
authors.affiliation: Department of Chemistry, Kakatiya University, Warangal, 506 009 AP, India.
authors.forename: K
authors.initials: K
authors.lastname: Govardhan Reddy
authors.affiliation: Department of Chemistry, Kakatiya University, Warangal, 506 009 AP, India.
authors.forename: B
authors.initials: B
authors.lastname: Kishore
authors.affiliation: Department of Pharmacology and Toxicology, Kakatiya University, Warangal, 506 009 AP, India.
authors.forename: Y N
authors.initials: YN
authors.lastname: Reddy
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D002351:Carrageenan; D051545:Cyclooxygenase 1 / Q000378:metabolism; D051546:Cyclooxygenase 2 / Q000378:metabolism; D016861:Cyclooxygenase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D004487:Edema / Q000139:chemically induced / Q000188:drug therapy*; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry*; D007555:Isoxazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D015394:Molecular Structure; D009574:Nitro Compounds / Q000737:chemistry*; D051381:Rats; D017208:Rats, Wistar; D013329:Structure-Activity Relationship
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D016861:Cyclooxygenase Inhibitors; D006575:Heterocyclic Compounds, 3-Ring; D007555:Isoxazoles; D009574:Nitro Compounds; C560828:nitroaldol; D002351:Carrageenan; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2
keywords: 6-Methylisoxazolo[5,4-d]isoxazol-3-yl-aryl-methanones; Anti-inflammatory activity; Drug-likeness; Molecular properties prediction