787591-43-9

Usage

Uses

Used in Pharmaceutical Industry:
(3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER is used as a key intermediate for the synthesis of pharmaceutical compounds. Its unique structure allows for the creation of urea derivatives, which are important in the development of various drug molecules.
Used in Agrochemical Industry:
In the agrochemical industry, (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER serves as a building block for the synthesis of agrochemicals. Its reactivity and stability make it suitable for the development of new pesticides and other agrochemical products.
Used in Materials Science:
(3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER is utilized as a component in the synthesis of advanced materials. Its boronic acid functionality and pinacol ester group contribute to the development of materials with unique properties for various applications in materials science.

InChI:InChI=1/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(8-10)15-9-16/h5-8H,1-4H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 210907-84-9 3-aminophenylboronic acid pinacolate 

Downstream Products

• 787591-44-0 C₂₀H₃₂BN₃O₄ 
• 1062162-17-7 1-{3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-3-methyl-urea 
• 191171-49-0 N-methyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea 
• 1395786-74-9 methyl 3-[3-(3-{[(methylamino)carbonyl]amino}phenyl)imidazo[1,2-b]pyridazin-7-yl]benzoate 
• 1383481-30-8 3-[3-(3-{[(methylamino)carbonyl]amino}phenyl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid 
• 70171-70-9 1-(3-hydroxyphenyl)-3-isopropylurea 
• 21572-56-5 N-(3-hydroxyphenyl) morpholine-4-carboxylamide 
• 874299-09-9 1-(tert-butyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea 

Relevant academic research and scientific papers

Synthesis and antitumor activity of novel pyridino[2,3-d]pyrimidine urea derivatives

A series of novel N-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)pyrrolidine-1-carboxamide and 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-propylurea derivatives were synthesized. Their antitumor activities against human breast carcinoma cells (MCF-7) and human colon cancer cells (HCT-116) in vitro were evaluated, using sorafenib as a positive control drug. Anticancer bioassays indicated that several compounds exhibited appreciable anticancer activity against MCF-7 and HCT-116 cells. Particularly, compounds 9g and 8b demonstrated the most significant inhibitory effect against HCT-116 and MCF-7 cells, with inhibition ratios of 25.56% and 26.46%, respectively. Additionally, the synthesized pyridine[2,3-d]pyrimidine derivatives containing a urea group moieties exhibited antitumor activities against MCF-7 and HCT-116 cells in vitro.

Synthesis, crystal structure and vibrational properties of N-(8-(3-(3-(tert-butyl)ureido)phenyl)imidazo[1,2-a]pyridin-6-yl)acetamide

Derivatives of imidazo[1,2-a]pyridine, a type of fused heterocyclic substance, play major roles in the chemical fields and are confirmed to be the core fragments of various drug molecules. In this study, the title compound was designed and synthesized from the coupling reaction of N-(8-iodoimidazo[1,2-a]pyridin-6-yl)acetamide and 1-(tert-butyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea. The crystals of the title compound were obtained by solvent evaporation at room temperature. The structure of N-(8-(3-(3-(tert-butyl)ureido)phenyl)imidazo[1,2-a]pyridin-6-yl)acetamide was demonstrated by 1H NMR, 13C NMR, FT-IR and single crystal X-ray diffraction studies. Additionally, theoretical calculations, based on the density functional method B3LYP at the 6-311+G(d, p) level, were performed on the title compound, and the molecular structure optimized using DFT was consistent with the results obtained using X-ray diffraction. In addition, hydrogen bonding, intramolecular π–π stacking and the Van der Waals forces significantly stabilized of N-(8-(3-(3-(tert-butyl)ureido)phenyl)imidazo[1,2-a]pyridin-6-yl)acetamide, as shown in the packing diagram. Moreover, the vibrations of the title compound were reliably assigned on the basis of characteristic vibrational absorption bands. Finally, frontier molecular orbital (FMO) was employed to verify the charge transfer interaction involving the electron acceptor and electron donor groups.

Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors

The present invention relates to 8-amino-aryl-substituted imidazopyrazines which modulate the activity of protein kinases (“PKs”). The compounds of this invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds and methods of preparing them are also disclosed.