13148-87-3

Upstream product

• 56576-06-8 3-[4,4-Dimethyl-2,6-dioxo-1-(2-oxo-propyl)-cyclohexyl]-propionitrile 
• 126-81-8 dimedone 
• 78-95-5 chloroacetone 
• 56576-05-7 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-ynyl-cyclohexyl)-propionitrile 
• 56576-00-2 3-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-propionitrile 
• 598-31-2 1-bromoacetone 

Downstream Products

• 91165-10-5 2-Benzyl-5,5-dimethyl-2-(2-oxo-propyl)-cyclohexane-1,3-dione 
• 91165-09-2 2,5,5-Trimethyl-2-(2-oxo-propyl)-cyclohexane-1,3-dione 
• 163083-04-3 1-(4-methylphenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one 
• 163083-12-3 1-(4-nitrophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one 
• 57663-14-6 4-oxo-1-phenyl-4,5,6,7-tetrahydro-2,6,6-trimethylindole 
• 164226-66-8 1-(3-chlorophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one 
• 676257-83-3 1-(3-bromophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one 
• 96757-76-5 1-(4-fluorophenyl)-2,6,6-trimethyl-6,7-dihydro-1H-indol-4(5H)-one 
• 164226-64-6 1-(4-bromophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one 
• 890826-77-4 1-(4-fluorophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one oxime 
• 676257-85-5 1-(3-bromophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one oxime 
• 676257-84-4 1-(4-iodophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydroindol-4-one oxime 
• 164226-58-8 5,6,7,8-tetrahydro-2,7,7-trimethyl-1-phenylpyrrolo[3,2-c]azepin-4(1H)-one 
• 164226-59-9 6H-1-(4-methylphenyl)-2,7,7-trimethyl-4,5,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one 

Relevant academic research and scientific papers

Nucleus-independent chemical shift (NICS) as a criterion for the design of new antifungal benzofuranones

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS and antifungal activity showed that both tested variables were significantly related (p –1 for Candida glabrata, Candida krusei and Candida guilliermondii with compounds 15-32, 15-15 and 15-1. The MIC for filamentous fungi was 1.95 μg·mL–1 for Aspergillus niger for compounds 15-1, 15-33 and 15-34. The results obtained support the use of NICS in the molecular design of compounds with antifungal activity.

Synthesis, molecular docking, and in silico ADME/Tox profiling studies of new 1-aryl-5-(3-azidopropyl)indol-4-ones: Potential inhibitors of SARS CoV-2 main protease

The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its spread across the world and to date has caused more than a million deaths. Although COVID-19 vaccine development appears to be progressing rapidly, scientists continue th

OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS

Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein R1, R2, R3, R4, R5, R6, R7, n, Q1, Q2, Q3, Y, and X1/sub

De novo design of non-coordinating indolones as potential inhibitors for lanosterol 14-α-demethylase (CYP51)

The development of antifungal drugs that inhibit lanosterol 14-α-demethylase (CYP51) via non-covalent ligand interactions is a strategy that is gaining importance. A series of novel tetraindol-4-one derivatives with 1- and 2-(2,4-substituted phenyl) side chains were designed and synthesized based on the structure of CYP51 and fluconazole. The antifungal activities of these derivatives against eight human pathogenic filamentous fungi and yeast strains were evaluated in vitro by measuring the minimal inhibitory concentrations. Nearly all tested compounds 8a-g displayed activity against Candida tropicalis, Candida guilliermondii and Candida parapsilosis with a minimum inhibitory concentration (MIC) value until 8 μg mL-1, on the other hand compounds 7a-g showed activity against Aspergillus fumigatus with a MIC value of 31.25 μg mL-1. A molecular modeling study of the binding interactions between compounds 6, 7d, 8g and the active site of MtCYP51 was conducted based on the computational docking results.

HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF

The present invention relates to a novel hydroxamate derivatives, more specifically, to novel hydroxamate derivatives having inhibitory activity against Histone Deacetylase (HDAC), isomers thereof, pharmaceutically acceptable salts thereof, hydrates or solvates thereof, use for preparing pharmaceutical compositions, pharmaceutical compositions comprising the same, treatment method using said composition, and a preparing method of novel hydroxamate derivatives. The novel selective hydroxamate derivatives having inhibitory activity against Histone Deacetylase (HDAC) compositions can be used for treatment of inflammatory disease, rheumatoid arthritis, or degenerative disease.

HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF

The present invention relates to a novel hydroxamate derivatives, more specifically, to novel hydroxamate derivatives having inhibitory activity against Histone Deacetylase (HDAC), isomers thereof, pharmaceutically acceptable salts thereof, hydrates or solvates thereof, use for preparing pharmaceutical compositions, pharmaceutical compositions comprising the same, treatment method using said composition, and a preparing method of novel hydroxamate derivatives. The novel selective hydroxamate derivatives having inhibitory activity against Histone Deacetylase (HDAC) compositions can be used for treatment of inflammatory disease, rheumatoid arthritis, or degenerative disease.

Tetrahydropyrrolo[3,2-c]azepin-4-ones as a new class of cytotoxic compounds

Pyrroloazepinones 8a-j and 9a-j were designed by structural modification of lead compound 3. These compounds were tested on five tumor cell lines to determine the role of the azeto ring and the 2-methyl substituent in the cytotoxicity of compound 3. Our r

TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES

Disclosed are compounds and pharmaceutically acceptable salts of Formula (I): wherein R1, R2, R3, R4, R5, R6, R7, n, Q1, Q2, Q3, Y, and X1-X4 are as defined

THE SYNTHESIS AND CHEMISTRY OF AZOLENINES. PART 8. THE PAAL-KNORR REACTION WITH CYCLIC 2-(ACYLMETHYL)-2-ALKYL-1,3-DIKETONES: ISOLATION OF 1-ACYL-1H-PYRROLES VIA REARRANGEMENT

Treatment of cyclic 2-acylmethyl-2-alkyl-1,3-diketones with ammonium acetate under reflux in acetic acid gives moderate to high yields of 1-acyl-1H-pyrroles by rearrangement.Some of the cyclic diketones react quantitatively with liquid ammonia to yield 2-