What is the chemical structure of 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine

This is the formula of chemical substances, and the details need to be analyzed from various parts of the molecular structure. First, this is a complex organic compound. In "2 - [5 - fluoro - 1 - (2 - fluorobenzyl) - 1H - pyrazolo [3,4 - b] pyridin - 3 - yl] pyrimidine - 4,5,6 - triamine", "pyrimidine" is a pyrimidine ring, which is one of the basic structures. There are "4,5,6 - triamine" connected to the ring, that is, there are three amino groups connected to the 4, 5, and 6 positions of the pyrimidine ring. The amino group is a nitrogen-containing functional group, which has certain reactivity and chemical properties.

Furthermore, "2 - [...]" indicates that there is a complex substituent at the 2nd position of the pyrimidine ring. In this substituent, "5-fluoro" refers to the fluorine atom substituted at the 5th position of a ring system. The fluorine atom has strong electronegativity, which affects the molecular polarity and reactivity. "1 - (2 - fluorobenzyl) " means that the 1st position is connected with 2-fluorobenzyl, benzyl is a benzyl group with a benzene ring linked to a methylene structure, 2-fluorobenzyl is a benzyl group with a fluorine atom substituted at the 2nd position of the benzene ring, and the benzene ring has a conjugated system, which affects the molecular stability and electron cloud distribution. " 1H-pyrazolo [3,4-b] pyridin-3-yl "is a pyrazolo [3,4-b] pyridine group, which is another fused ring structure. It is formed by fusing the pyrazolo ring with the pyridine ring, which further enriches the spatial structure and electronic properties of the molecule.

Overall, this compound is composed of structural units such as pyrimidine ring, amino group, fluorine atom, benzyl group and pyrazolopyridine fused ring, and the interaction of each part endows it with unique chemical properties and potential applications.

What are the main uses of 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine

2 - [5 - fluoro - 1 - (2 - fluorobenzyl) -1H - pyrazolo [3,4 - b] pyridin - 3 - yl] pyrimidine - 4,5,6 - triamine is an organic compound with important uses in the field of modern medical chemistry. This compound is mostly used in drug development, especially in the exploration of anti-cancer drugs. Due to its unique chemical structure, it can precisely act on specific targets of cancer cells. By regulating key signaling pathways of cancer cells, it inhibits cancer cell proliferation and induces apoptosis, and then exerts anti-cancer effects.

In cancer treatment research, scientists have found that this compound can selectively inhibit the activity of certain oncogenic kinases, which play a key role in the growth, survival and metastasis of cancer cells. By inhibiting these kinases, the compound can effectively inhibit the growth of cancer cells, and has little damage to normal cells. It is expected to become a new anti-cancer drug with high efficiency and low toxicity.

In addition to the field of anti-cancer, in the development of drugs for neurological diseases, 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine has also emerged. Studies have shown that it has a regulatory effect on specific neurotransmitter receptors or signaling pathways in the nervous system, and may be used to treat neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease, providing new opportunities for the treatment of these difficult diseases.

What is the synthesis method of 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine

To prepare 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl] pyrimidine-4,5,6-triamine, the method is as follows:

First, prepare the corresponding starting materials, namely fluorinated pyridine, pyrazole and pyrimidine derivatives. In a suitable reaction vessel, dissolve in an organic solvent, such as dichloromethane, N, N-dimethylformamide, etc., depending on the solubility of the raw materials. < Br >
First, the fluoropyridine derivative and the fluorobenzyl reagent are catalyzed by a base to perform nucleophilic substitution reaction. The base can be selected from weak bases such as potassium carbonate and sodium carbonate to maintain a mild alkaline environment in the reaction system. The key intermediate 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine derivative is obtained by heating to an appropriate temperature or stirring at room temperature.

Next, the intermediate is mixed with the pyrimidine derivative, and an appropriate condensation agent is added, such as 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDC · HCl), N, N '-dicyclohexyl carbodiimide (DCC), etc., or catalyzed by Lewis acid, such as aluminum trichloride. This step may require heating to make the two cyclize, and the structure of pyrizolo [3,4-b] pyrimidine connected to pyrimidine is constructed.

After
, an amination reaction is carried out at a specific position on the pyrimidine ring through appropriate amination reagents, such as ammonia water, amines, etc. The reaction conditions may require heating and pressure to promote amine substitution to obtain the target product 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl] pyrimidine-4,5,6-triamine.

After the reaction is completed, the product is separated and purified by means of extraction, column chromatography, recrystallization, etc., in order to obtain a high-purity target compound. The whole process requires careful control of the reaction conditions, such as temperature, pH, reaction time, etc., in order to extract yield and maintain purity.

What are the safety and toxicity of 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine

2-%5B5-fluoro-1-%282-fluorobenzyl%29-1H-pyrazolo%5B3%2C4-b%5Dpyridin-3-yl%5Dpyrimidine-4%2C5%2C6-triamine is a complex chemical compound. Its safety and toxicity need to be investigated in detail.

At present, scientific research on the safety and toxicity of this substance is still incomplete. It is common sense that new chemical compounds may pose potential health risks. Studies on animals in the laboratory may provide preliminary toxicity information.

It may cause damage to the cells of the organism, such as interfering with the normal metabolic process of the cells, or causing cell mutation. It may also affect the immune system of the organism and reduce its ability to resist disease. In the environment, if this substance is released, it may cause damage to the ecosystem and affect the survival of animals and plants.

To know its safety and toxicity for sure, rigorous and comprehensive toxicological studies are required. Such studies should include acute toxicity tests to observe the reaction of organisms to short-term exposure to the substance; chronic toxicity tests to observe the effects of long-term exposure; and assessments of mutagenicity, teratogenicity, and carcinogenicity.

In addition, human clinical trials are also critical, and ethical norms must be strictly followed. Only through many studies can accurate conclusions about the safety and toxicity of this substance be reached, providing a solid basis for its rational application and risk prevention and control.

What is the market outlook for 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl] pyrimidine-4,5,6-triamine?

There is now a product named 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl] pyrimidine-4,5,6-triamine. The prospect of this product in the market is worth exploring.

In today's field of pharmaceutical and chemical industry, the development of new agents is in demand. Such nitrogen-containing heterocyclic compounds often have specific activities in drug creation due to their unique chemical structures. 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl] pyrimidine-4,5,6-triamine, its structure is exquisite, or in the development of anti-cancer, antiviral and other drugs, emerging.

In the road of anti-cancer, many targeted drugs are based on specific molecular structures and precisely target cancer cells. The structure of this compound may be able to fit specific targets of cancer cells and inhibit their proliferation. If the research and development goes well and it is put into the market, it will add new power to anti-cancer drugs and bring good news to patients. The market prospect is broad.

In the field of antiviral drugs, new viruses continue to emerge, and there is an urgent need for highly effective antiviral drugs. The characteristics of this compound may make it capable of inhibiting viral replication. If it is experimentally verified to be effective and put into production, it will gain a share of the antiviral drug market.

However, its market prospects are not smooth sailing. The road to research and development is difficult. From laboratory synthesis, to clinical research, to clinical trials, requires a lot of manpower, material resources and time. And the research and development competition of similar compounds is fierce. If it cannot stand out, it may be difficult to win the favor of the market. But with time, careful study and overcoming difficulties, 2- [5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl] pyrimidine-4,5,6-triamine will be able to bloom in the market and promote the progress of the pharmaceutical industry.