2345-51-9Relevant articles and documents
-
Bew,R.B. et al.
, p. 135 - 139 (1966)
-
Wotiz et al.
, p. 5503 (1951)
Total Syntheses of Atrovenetin and Atrovenetinone: A Naphthalene-Annulation Approach to a Discoid Tricycle Using Allenic Acid
Matsushita, Kyohei,Suzuki, Keisuke,Ohmori, Ken
, p. 944 - 950 (2017)
A total synthesis of atrovenetin has been achieved. The discoid tricyclic motif was constructed by a novel three-carbon annulation of naphthalene derivative and allenic acid under acidic conditions. An effective protocol for the conversion of atrovenetin
3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation
Floresta, Giuseppe,Cilibrizzi, Agostino,Abbate, Vincenzo,Spampinato, Ambra,Zagni, Chiara,Rescifina, Antonio
, p. 276 - 284 (2018/12/11)
Following on the recent publication of pharmacologically relevant effects, small molecule inhibitors of adipocyte fatty-acid binding protein 4 (FABP4) have attracted high interest. FABP4 is mainly expressed in macrophages and adipose tissue, where it regulates fatty acid storage and lipolysis, being also an important mediator of inflammation. In this regard, FABP4 recently demonstrated an interesting molecular target for the treatment of type 2 diabetes, other metabolic diseases and some type of cancers. In the past years, hundreds of effective FABP4 inhibitors have been synthesized. In this paper, a quantitative structure-activity relationship (QSAR) model has been produced, in order to predict the bioactivity of FABP4 inhibitors. The methodology has been combined with a scaffold-hopping approach, allowing to identify three new molecules that act as effective inhibitors of this protein. These molecules, synthesized and tested for their FABP4 inhibitor activity, showed IC50 values between 3.70 and 5.59 μM, with a high level of agreement with the predicted values.
3-butynoic acid preparation method
-
Paragraph 0021; 0022, (2016/11/24)
The present invention discloses a 3-butynoic acid preparation method comprising the following steps: (1) magnesium chips and an organic solvent are added into a reaction vessel, propargyl bromide is added dropwise under nitrogen protection, and after the addition is complete, reaction is performed for 40 to 80 minutes at room temperature; excess amount of carbon dioxide is introduced, and heated to 50 DEG C-70 DEG C for reaction for 1 to 3 hours to obtain a reaction solution; (2) the reaction solution is poured into a cooled saturated ammonium chloride aqueous solution, an organic layer is separated by extraction and layering, the organic layer is dried, filtered and concentrated to obtain crude 3-butynoic acid; (3) the crude 3-butynoic acid is recrystallized with methyl tert-butyl ether, and filtered to obtain a crystal, and then the crystal is dried to obtain pure 3-butynoic acid. No water is produced in the preparation of the 3-butynoic acid final product, the 3-butynoic acid purification process is simplified, and the 3-butynoic acid final product is less in impurities and high in purity.
