916228-69-8

Upstream product

• 4812-20-8 2-Isopropoxyphenol 

Downstream Products

• 944333-98-6 4-bromo-1-difluoromethoxy-2-isopropoxybenzene 
• 1421283-52-4 2-[4-(tert-butyl-dimethyl-silanyloxy)-3-isopropoxy-phenyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane 
• 916228-64-3 6-(4-hydroxy-3-isopropoxy-phenyl)-pyridine-3-carbaldehyde 
• 916228-63-2 6-(4-hydroxy-3-isopropoxy-5-nitro-phenyl)-pyridine-3-carbaldehyde 
• 916228-62-1 4-(5-[1 ,3]dioxolan-2-yl-pyridin-2-yl)-2-isopropoxy-6-nitro-phenol 
• 916228-61-0 2-amino-4-(5-[1,3]dioxolan-2-yl-pyridin-2-yl)-6-isopropoxy-phenol 
• 916228-68-7 (4-bromo-2-isopropoxy-phenoxy)-tert-butyl-dimethylsilane 

Relevant academic research and scientific papers

Structure-based design, docking and binding free energy calculations of a366 derivatives as spindlin1 inhibitors

The chromatin reader protein Spindlin1 plays an important role in epigenetic regulation, through which it has been linked to several types of malignant tumors. In the current work, we report on the development of novel analogs of the previously published lead inhibitor A366. In an effort to improve the activity and explore the structure–activity relationship (SAR), a series of 21 derivatives was synthesized, tested in vitro, and investigated by means of molecular modeling tools. Docking studies and molecular dynamics (MD) simulations were performed to analyze and rationalize the structural differences responsible for the Spindlin1 activity. The analysis of MD simulations shed light on the important interactions. Our study highlighted the main structural features that are required for Spindlin1 inhibitory activity, which include a positively charged pyrrolidine moiety embedded into the aromatic cage connected via a propyloxy linker to the 2-aminoindole core. Of the latter, the amidine group anchor the compounds into the pocket through salt bridge interactions with Asp184. Different protocols were tested to identify a fast in silico method that could help to discriminate between active and inactive compounds within the A366 series. Rescoring the docking poses with MM-GBSA calculations was successful in this regard. Because A366 is known to be a G9a inhibitor, the most active developed Spindlin1 inhibitors were also tested over G9a and GLP to verify the selectivity profile of the A366 analogs. This resulted in the discovery of diverse selective compounds, among which 1s and 1t showed Spindlin1 activity in the nanomolar range and selectivity over G9a and GLP. Finally, future design hypotheses were suggested based on our findings.

(5-(4-(difluoromethoxy)-3-isopropoxyphenyl)furan-3-yl) methanol preparation method

The invention relates to a (5-(4-(difluoromethoxy)-3-isopropoxyphenyl)furan-3-yl) methanol preparation method. A purpose of the present invention is mainly to solve the technical problem that no suitable industrial synthesis method exists in the prior art

NOVEL SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES

The present invention provides a new patentable class of substituted benzoxazole derivative compounds that exhibit protein kinase (PK) inhibition activity or modulating ability, as well as compositions and methods of using such compounds, for example, to

PYRROLOPYRIDAZINONE COMPOUND

The present invention discloses a pyrrolopyridazinone compound represented by the formula (1): wherein R1 represents C1-C2 alkyl group or halogeno C1-C2 alkyl group, R2 repersents C3-C5 cycloalkyl group, (C3-C5 cycloalkyl)C1-C2 alkyl group or C1-C3 alkyl group, R3 represents hydrogen atom, or methylene group or cis-vinylene group for forming substituted oxygen-containing hetero ring in combination with group -O-R2, R4 represents hydrogen atom, halogen atom, C1-C8 alkyl group, C2-C6 alkenyl group, C2-C6 alkynyl group, hydroxy C3-C6 alkenyl group, hydroxy C3-C6 alkynyl group, C1-C6 alkyl group substituted by substituent(s) selected from Substituent group (a), C3-C6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), "C1-C3 alkyl group which is substituted by C3-C6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), and which may be substituted by a hydroxy group", an aromatic ring group or heteroaromatic ring group each of which may be substituted by a substituent(s) selected from Substituent group (c) or "C1-C2 alkyl group which is substituted by aromatic ring group or heteroaromatic ring group each of which may be substituted by group(s) selected from Substituent group (c), and which may be substituted by a hydroxy group", Substituent group (a) represents a halogen atom, hydroxy group, cyano group, carboxy group, C1-C5 alkoxy group, halogeno C1-C4 alkoxy group, C3-C6 cycloalkoxy group, (C3-C6 cycloalkyl) C1-C2 alkoxy group, C1-C4 alkoxycarbonyl group, C2-C4 alkanoyl group, C2-C4 alkanoyloxy group or C1-C4 alkyl-substituted amino group, Substituent group (b) represents a hydroxy group or a halogen atom, Substituent group (c) represents a halogen atom, a hydroxy group, a cyano group, a nitro group, a carboxy group, C1-C5 alkoxy group, C1-C4 alkoxycarbonyl group, C2-C4 alkanoyloxy group, C1-C4 alkyl-substituted amino group or a C1-C4 alkyl group which may be substituted by a substituent(s) selected from the group consisting of (a halogen atom, a hydroxy group and a carboxy group), or a pharmaceutically acceptable salt thereof.