31233-66-6Relevant articles and documents
Methylene-Linked Bis-NHC Half-Sandwich Ruthenium Complexes: Binding of Small Molecules and Catalysis toward Ketone Transfer Hydrogenation
Botubol-Ares, José Manuel,Cordón-Ouahhabi, Safa,Moutaoukil, Zakaria,Collado, Isidro G.,Jiménez-Tenorio, Manuel,Puerta, M. Carmen,Valerga, Pedro
supporting information, p. 792 - 803 (2021/04/06)
The complex [Cp*RuCl(COD)] reacts with LH2Cl2 (L = bis(3-methylimidazol-2-ylidene)) and LiBun in tetrahydrofuran at 65 °C furnishing the bis-carbene derivative [Cp*RuCl(L)] (2). This compound reacts with NaBPh4 in MeOH under dinitrogen to yield the labile dinitrogen-bridged complex [{Cp*Ru(L)}2(μ-N2)][BPh4]2 (4). The dinitrogen ligand in 4 is readily replaced by a series of donor molecules leading to the corresponding cationic complexes [Cp*Ru(X)(L)][BPh4] (X = MeCN 3, H2 6, C2H4 8a, CH2CHCOOMe 8b, CHPh 9). Attempts to recrystallize 4 from MeNO2/EtOH solutions led to the isolation of the nitrosyl derivative [Cp*Ru(NO)(L)][BPh4]2 (5), which was structurally characterized. The allenylidene complex [Cp*Ru═C═C═CPh2(L)][BPh4] (10) was also obtained, and it was prepared by reaction of 2 with HCCC(OH)Ph2 and NaBPh4 in MeOH at 60 °C. Complexes 3, 4, and 6 are efficient catalyst precursors for the transfer hydrogenation of a broad range of ketones. The dihydrogen complex 6 has proven particularly effective, reaching TOF values up to 455 h-1 at catalyst loadings of 0.1% mol, with a high functional group tolerance on the reduction of a broad scope of aryl and aliphatic ketones to yield the corresponding alcohols.
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.
A Photoredox Coupling Reaction of Benzylboronic Esters and Carbonyl Compounds in Batch and Flow
Chen, Yiding,May, Oliver,Blakemore, David C.,Ley, Steven V.
supporting information, p. 6140 - 6144 (2019/08/26)
Mild cross-coupling reaction between benzylboronic esters with carbonyl compounds and some imines was achieved under visible-light-induced iridium-catalyzed photoredox conditions. Functional group tolerance was demonstrated by 51 examples, including 13 he
