What is the chemical structure of 2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazol-2-yl] piperidin-4-yl} (methyl) amino] pyrimidin-4 (3H) -one?

This is an organic compound, named 2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazole-2-yl] piperidine-4-yl} (methyl) amino] pyrimidine-4 (3H) -one. Looking at its naming, its chemical structure can be inferred from various parts.

Its structural core is pyrimidine-4 (3H) -one, which is a six-membered nitrogen-containing heterocycle, in which one oxygen atom and four carbon atoms are connected by double bonds to form a ketone group, and the three hydrogen atoms are reflected in the naming. In the second position of the pyrimidine ring, a complex side chain is connected by a nitrogen atom.

The side chain begins with a piperidine ring, which is connected to 1- (4-fluorobenzyl) -1H-benzimidazole-2-yl at the first position. This benzimidazole structure is formed by fusing the benzene ring with the imidazole ring, and the first position is replaced by 4-fluorobenzyl, that is, the benzyl ring para-position of the benzyl group is replaced by a fluorine atom. A methyl group is attached to the nitrogen atom at the 4th position of the piperidine ring to form a {1- [1- (4-fluorobenzyl) -1H-benzimidazole-2-yl] piperidine-4-yl} (methyl) amino group, which is then connected to the 2nd position of pyrimidine-4 (3H) -one to construct the complete chemical structure of this organic compound. In this way, the structure is clearly presented after layer-by-layer analysis according to the naming rules.

What are the main physical properties of 2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazol-2-yl] piperidin-4-yl} (methyl) amino] pyrimidin-4 (3H) -one?

2-%5B%7B1-%5B1-%284-fluorobenzyl%29-1H-benzimidazol-2-yl%5Dpiperidin-4-yl%7D%28methyl%29amino%5Dpyrimidin-4%283H%29-one is an organic compound. Its main physical properties are as follows:

This compound is mostly in solid form, and its appearance is often white to off-white crystalline powder, which is attributed to its intermolecular forces that promote the regular arrangement of molecules. Its melting point is within a specific range, because the intermolecular binding force requires a specific energy to break the lattice structure and realize the transition from solid to liquid.

The compound exhibits certain solubility in common organic solvents. In polar organic solvents such as methanol and ethanol, due to the principle of similar miscibility, by virtue of the interaction between molecules and solvents, it can have a certain degree of solubility and form a uniform dispersion system; in non-polar solvents such as n-hexane, the solubility is poor, because of the large difference between molecular polarity and non-polar solvents, and the weak interaction force.

It has certain stability, but under extreme conditions such as high temperature, strong acid, and strong base, some chemical bonds in the molecular structure may break or rearrange. For example, at high temperature, the connection bond between benzimidazole ring and piperidine group may be affected; in strong acid or strong base environment, pyrimidine ketone ring may be protonated or deprotonated, thereby changing molecular properties.

From the perspective of spectral properties, in infrared spectroscopy, there will be characteristic absorption peaks corresponding to functional groups, such as the carbonyl stretching vibration peak of the pyrimidine ketone ring, which can be used for structural characterization; in nuclear magnetic resonance spectroscopy, hydrogen or carbon atoms in different chemical environments will give characteristic signals, which help to determine the connection mode of atoms in molecules and the chemical environment.

What are the synthesis methods of 2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazol-2-yl] piperidin-4-yl} (methyl) amino] pyrimidin-4 (3H) -one?

There are several methods for synthesizing 2 - [{1 - [1 - (4 - fluorobenzyl) -1H - benzimidazole - 2 - yl] piperidine - 4 - yl} (methyl) amino] pyrimidine - 4 (3H) -one.

First, 4-fluorobenzyl chloride and o-phenylenediamine are used as the starting point. First, 1- (4-fluorobenzyl) -1H-benzimidazole-2-amine is condensed, then reacted with suitable piperidine derivatives, then methylated, and finally condensed with pyrimidine-4 (3H) -one related intermediates. The starting materials are easy to obtain, but there are many steps, and the reaction conditions of each step need to be carefully controlled.

Second, starting from piperidine-4-one, reacting with 1- (4-fluorobenzyl) -1H-benzimidazole-2-amine, reducing amination to obtain piperidine-containing intermediates, after methylation, and then condensation with pyrimidine-4 (3H) -one precursors. The key to this method is the reductive amination step, and suitable reducing agents and reaction conditions need to be selected to improve the yield and selectivity.

Third, pyrimidine-4 (3H) -one can be designed as the core, and fragments containing benzimidazole and piperidine structures can be gradually introduced. The pyrimidine-4 (3H) -one is modified first, and a suitable leaving group is introduced, and then it reacts with amine compounds containing benzimidazole and piperidine structures. This path requires accurate understanding of the reactivity of the pyrimidine ring, rational planning of the reaction sequence, and to ensure the efficient progress of the reaction.

All synthesis methods have their own advantages and disadvantages. In actual operation, it is necessary to weigh factors such as raw material availability, cost, reaction difficulty and yield, and choose the optimal method.

2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazol-2-yl] piperidin-4-yl} (methyl) amino] pyrimidin-4 (3H) -one What are the applications in the field of medicine?

2-%5B%7B1-%5B1-%284-fluorobenzyl%29-1H-benzimidazol-2-yl%5Dpiperidin-4-yl%7D%28methyl%29amino%5Dpyrimidin-4%283H%29-one is the English name of chemical substances, and its chemical structure is relatively complex. Such compounds often show diverse effects in the field of medicine.

Many analogues containing benzimidazole and pyrimidinone structures have been found to have potential biological activities. For example, in anti-tumor, it can interfere with the proliferation and survival of tumor cells through specific mechanisms. In the process of abnormal tumor cell proliferation, some signaling pathways and key proteins play a key role. The compound may be able to precisely act on these targets, inhibit the activity of related proteins, and then block the signal transduction of tumor cell growth to achieve the purpose of inhibiting tumor cell proliferation.

In the field of antibacterial, it may act on key links such as cell wall synthesis, protein synthesis or nucleic acid metabolism of bacteria. For example, inhibiting the activity of bacterial cell wall synthesis-related enzymes makes the bacterial cell wall structure incomplete, loses its protective function against bacteria, and eventually leads to bacterial death.

In the development of drugs for the treatment of nervous system diseases, its structure is similar to that of some neurotransmitters or neuroreceptor regulators, or it can regulate the transmission of neurotransmitters and correct nervous system dysfunction, bringing new opportunities for the treatment of Parkinson's disease, Alzheimer's disease and other neurological diseases. However, the specific effect needs to be further verified through rigorous experiments and clinical studies.

What is the market outlook for 2- [{1- [1- (4-fluorobenzyl) -1H-benzimidazol-2-yl] piperidin-4-yl} (methyl) amino] pyrimidin-4 (3H) -one?

2-%5B%7B1-%5B1-%284-fluorobenzyl%29-1H-benzimidazol-2-yl%5Dpiperidin-4-yl%7D%28methyl%29amino%5Dpyrimidin-4%283H%29-one is a complex organic compound, and its structure is very delicate. In today's world, this compound is emerging in the field of pharmaceutical research and development, and the prospect is quite promising.

In the field of medicinal chemistry, many researchers are working hard to study its pharmacological activity. Because of its unique structure, it is expected to show excellent efficacy for specific diseases. For example, in the journey of anti-cancer drug development, scientists hope to develop new anti-cancer drugs with significant efficacy and minor side effects by analyzing the mechanism of their interaction with cancer cells.

Furthermore, in the field of drug exploration for neurological diseases, this compound has also attracted many attention. Researchers speculate that it may have an impact on the regulation of neurotransmitters, thus providing a new strategy for the treatment of complex neurological diseases such as Parkinson's disease and Alzheimer's disease.

To successfully bring it to the market, there are still many obstacles to be overcome. Drug safety evaluation is the key. A large number of animal experiments and rigorous clinical trials must be conducted to determine whether it has potential harm to the human body. Moreover, the pharmacokinetic properties cannot be ignored. It is necessary to clarify the laws of its absorption, distribution, metabolism and excretion in the body to ensure that the drug has the best efficacy.

The preparation process is also a major challenge. An efficient, environmentally friendly and cost-controllable synthesis method needs to be developed to achieve large-scale production. Otherwise, even if its curative effect is extraordinary, the high cost will make it difficult to enter the field of ordinary medical treatment.

In short, although 2-%5B%7B1-%5B1-%284-fluorobenzyl%29-1H-benzimidazol-2-yl%5Dpiperidin-4-yl%7D%28methyl%29amino%5Dpyrimidin-4%283H%29-one has a bright future, there are still thorns ahead, and it is urgent for researchers to unremitting exploration and full attack.