4D-QSAR and MIA-QSAR Studies of Aminobenzimidazole Derivatives as Fourth-generation EGFR Inhibitors.

Background: The epidermal growth factor receptor (EGFR) protein has been intensively studied as a therapeutic target for non-small cell lung cancer (NSCLC). The aminobenzimidazole derivatives as the fourth-generation EGFR inhibitors have achieved promising results and overcame EGFR mutations at C797S, del19 and T790M in NSCLC.

Objective: In order to understand the quantitative structure-activity relationship (QSAR) of aminobenzimidazole derivatives as EGFRdel19 T790M C797S inhibitors, the four-dimensional QSAR (4D-QSAR) and multivariate image analysis (MIA-QSAR) have been performed on the data of 45 known aminobenzimidazole derivatives.

Enantioselective Reductive -Cyclization-Alkylation Reaction of Alkene-Tethered Oxime Esters and Alkyl Iodides by Nickel Catalysis.

Asymmetric cross-electrophile difunctionalization of tethered alkenes has become a powerful tool for the production of chiral cyclic scaffolds; however, the current studies all focus on carbocyclization reactions. Herein, we report an -cyclization-alkylation reaction and thus showcase the potential of heterocyclization for accessing new enantioenriched cyclic architectures. This work establishes a new approach for enantioselective aza-Heck cyclization/cross-coupling sequence, which remains a long-standing unsolved challenge for the synthetic community.

Two new triterpenes isolated from C. Y. Cheng et W. L. Sha and their antiproliferative activities.

Two new triterpenes, 3, 7-dihydroxyolean-12-en-11-one (1) and 3--acetyl-7-hydroxyolean-12-en-11-one (2), along with four known triterpenes 3-hydroxyolean-12-en-11-one (3), -amyrin (4), lup-20(29)-ene-1, 3-diol (5) and 1, 3-dihydroxy-urs-9(11)-12-diene (6), were isolated from the stems and leaves of C. Y. Cheng et W.

A Review on Phytochemicals of the Genus and Their Bioactive Studies.

The genus is a member of the Celastraceae family, of which several species have long been used in traditional medicine. Between 1976 and 2021, nearly 270 new compounds have been isolated and elucidated from the genus . Among these, maytansine and its homologues are extremely rare in nature.

Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols.

Controlling the selectivity in cross-electrophile coupling reactions is a significant challenge, particularly when one electrophile is much more reactive. We report a general and practical strategy to address this problem in the reaction between reactive and unreactive electrophiles by a combination of nickel and Lewis acid catalysis. This strategy is used for the coupling of aryl halides with allylic alcohols to form linear allylarenes selectively.

Platinum-catalyzed tandem cycloisomerization reaction of benzoendiynyl esters: regioselective long-range 1,5-acyl migration.

A Pt(II)-catalyzed intramolecular chemo- and regioselective pentannulation/long-range 1,5-acyl migration reaction is described. This cascade cycloisomerization protocol produces a wide variety of benzofulvene diketones in good to excellent yields with exclusively the Z configuration of the exocyclic double bond of the final product. The (18)O isotope experiment together with (13)C NMR, HRMS, and HMBC analyses confirmed an interesting long-range acyl rearrangement process in this transformation.

AgOTf-catalyzed electrophilic cyclization of triynols with NXS: rapid synthesis of densely trisubstituted naphthalenes and quinolines.

A silver triflate-catalyzed electrophilic cyclization reaction of acyclic triynols with NXS (X=I, Br) under mild conditions is reported. Three reactive functional groups, such as a carbonyl group, an alkyne group, and a halogen, could be selectively installed at the C1, C2, and C3 positions to obtain the naphthalene and quinoline products, respectively. The obtained densely trisubstituted products could be further transformed into more complex aromatic products by manipulating the alkynyl moiety and the other two functional groups as synthons.