20680-35-7

Upstream product

• 24964-64-5 3-Cyanobenzaldehyde 
• 64847-76-3 3-(hydroxyimino)methylbenzonitrile 
• 52707-53-6 3-cyanobenzaldehyde oxime 

Downstream Products

• 209731-38-4 4-carbomethoxy-3-(3-cyanophenyl)isoxazole 
• 76272-13-4 3'-(3-cyanophenyl)spiro-3-one 
• 544694-74-8 3-(5-hydroxymethyl-isoxazol-3-yl)-benzonitrile 
• 914106-13-1 3-(3-cyanophenyl)-5-(4-cyano-2-nitrophenyl)isoxazole 
• 914106-14-2 3-(3-cyanophenyl)-5-(2-chloro-4-cyanophenyl)isoxazole 
• 914106-22-2 3-(3-cyanophenyl)-5-(2-chloro-5-cyanophenyl)isoxazole 
• 301853-70-3 3-(5-chloromethyl-isoxazol-3-yl)-benzonitrile 
• 544694-61-3 4-(4-{[3-(3-carbamimidoyl-phenyl)-isoxazol-5-ylmethyl]-methanesulfonyl-amino}-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester 
• 544694-98-6 4-{4-[3-(3-carbamimidoyl-phenyl)-isoxazol-5-ylmethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-7-yloxy}-piperidine-1-carboxylic acid tert-butyl ester 

Relevant academic research and scientific papers

Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors

α-Glucosidase inhibition is a valid approach for controlling hyperglycemia in diabetes. In the current study, new molecules as a hybrid of isoxazole and dibenzazepine scaffolds were designed, based on their literature as antidiabetic agents. For this, a series of dibenzazepine-linked isoxazoles (33–54) was prepared using Nitrile oxide-Alkyne cycloaddition (NOAC) reaction, and evaluated for their α-glucosidase inhibitory activities to explore new hits for treatment of diabetes. Most of the compounds showed potent inhibitory potency against α-glucosidase (EC 3.2.1.20) enzyme (IC50 = 35.62 ± 1.48 to 333.30 ± 1.67 μM) using acarbose as a reference drug (IC50 = 875.75 ± 2.08 μM). Structure-activity relationship, kinetics and molecular docking studies of active isoxazoles were also determined to study enzyme-inhibitor interactions. Compounds 33, 40, 41, 46, 48–50, and 54 showed binding interactions with critical amino acid residues of α-glucosidase enzyme, such as Lys156, Ser157, Asp242, and Gln353.

Diversity Oriented Clicking (DOC): Divergent Synthesis of SuFExable Pharmacophores from 2-Substituted-Alkynyl-1-Sulfonyl Fluoride (SASF) Hubs

Diversity Oriented Clicking (DOC) is a unified click-approach for the modular synthesis of lead-like structures through application of the wide family of click transformations. DOC evolved from the concept of achieving “diversity with ease”, by combining classic C?C π-bond click chemistry with recent developments in connective SuFEx-technologies. We showcase 2-Substituted-Alkynyl-1-Sulfonyl Fluorides (SASFs) as a new class of connective hub in concert with a diverse selection of click-cycloaddition processes. Through the selective DOC of SASFs with a range of dipoles and cyclic dienes, we report a diverse click-library of 173 unique functional molecules in minimal synthetic steps. The SuFExable library comprises 10 discrete heterocyclic core structures derived from 1,3- and 1,5-dipoles; while reaction with cyclic dienes yields several three-dimensional bicyclic Diels–Alder adducts. Growing the library to 278 discrete compounds through late-stage modification was made possible through SuFEx click derivatization of the pendant sulfonyl fluoride group in 96 well-plates—demonstrating the versatility of the DOC approach for the rapid synthesis of diverse functional structures. Screening for function against MRSA (USA300) revealed several lead hits with improved activity over methicillin.

2,4-DIAMINO-6-ETHYLPYRIMIDINE DERIVATIVES WITH ANTIMALARIAL ACTIVITIES AGAINST PLASMODIUM FALCIPARUM

The present invention relates to 2,4-diamino-6-ethylpyrimidine derivatives that are inhibitors of wild type and quadruple mutant dihydrofolate reductase (DHFR) of Plasmodium falciparum. They also show in vitro antimalarial activities against Plasmodium fa

Synthesis of 3,5-Disubstituted isoxazoles containing privileged substructures with a diverse display of polar surface area

We designed and synthesized the molecular framework of 3,5-disubstituted isoxazoles containing privileged substructures with various substituents which uniquely display polar surface area in a diverse manner. A library of 3,5-disubstituted isoxazoles were systematically prepared via 1,3-dipolar cycloaddition of alkynes with nitrile oxides prepared by two complementary synthetic routes; method A utilized a halogenating agent with a base and method B utilized a hypervalent iodine reagent. Through the biological evaluation of corresponding isoxazoles via three independent phenotypic assays, the different pattern of biological activities was shown according to the type of privileged substructure and substituent. These results demonstrated the significance of molecular design via introducing privileged substructures and various substituents to make a diverse arrangement of polar surface area within a similar 3-dimensional molecular framework.

AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS

The present invention relates to azoline compounds which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these comp

Novel Isoxazoles and Methods of Use Thereof

The invention relates to isoxazole derivatives, compositions comprising such compounds, and methods of preventing or treating conditions and disorders using such compounds and compositions.

Synthesis and in vitro antiprotozoal activities of dicationic 3,5-diphenylisoxazoles

3,5-Bis(4-amidinophenyl)isoxazole (3) - an analogue of 2,5-bis(4- amidinophenyl)furan (furamidine) in which the central furan ring is replaced by isoxazole - and 42 novel analogues were prepared by two general synthetic pathways. The 43 isoxazole derivati

Bicyclic piperazines as metabotropic glutatmate receptor antagonists

The invention relates to compounds of formula I or pharmaceutically acceptable salts or solvates thereof: where Ar1, A, Hy, R1, m and n are as defined in the description. The invention also includes pharmaceutical compositions and uses of, and processes of making the compounds, as well as methods of medical treatment of mGluR5-mediated disorders.

6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance

Compounds having formula (I) are useful for treating bacterial infections while avoiding the concomitant liability of gastrointestinal intolerance. Compositions containing the compounds and methods of treatment using the compounds are also disclosed.

Design, synthesis and structure-activity relationships of benzoxazinone-based factor Xa inhibitors

A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds 1 and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inh