What is the chemical structure of (4R, 12aS) -N- (2,4-difluorobenzyl) -7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide?

(4R, 12aS) -N- (2,4-diethylamino) -7-benzyl-4-methyl-6,8-dioxide-3,4,6,8,12,12a-hexahydro-2H-quinolino [1 ', 2': 4,5] quinolino [2,1-b] acridine-9-formamide, this is the name of a chemical substance, and its chemical structure is relatively complex.

In the structure of this substance, according to its naming, it can be speculated that in a specific (4R, 12aS) stereo configuration, it contains multiple different substituents. The N atom is connected to the (2,4-diethylamino) group, which means that the nitrogen atom is connected to a specific structural fragment of two ethyl and amino groups. The 7-position is connected to benzyl, the 4-position is methyl, and the 6 and 8-position are two oxygen atoms connected in the form of double bonds to form a dioxide structure. The main structure is formed by the fusing of multiple rings, including a complex polycyclic fused system such as 2H-quinolino [1 ', 2': 4,5] quinolino [2,1-b] acridine, and is connected to a formamide group at the 9-position.

This structure makes the compound have unique chemical and physical properties. Its polycyclic structure and the existence of various substituents may affect its activity, solubility and interaction with other substances in chemical reactions. In fields such as medicinal chemistry, compounds with complex structures often exhibit potential biological activities due to their unique properties, which can be used to develop drugs with specific pharmacological effects.

What are the main uses of (4R, 12aS) -N- (2,4-difluorobenzyl) -7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide?

(4R, 12aS) -N- (2,4-diallyl) -7-benzyl-4-methyl-6,8-dioxide-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrido [2,1-b] [1,3] oxazine and other substances have a unique position in many chemical research and application fields. 9-methylxanthine has a wide range of main uses and is important.

9-methylxanthine is often used as a key intermediate in drug development in the field of medicine. It is like a key to unlock the treasure of medicinal effect and can interact with specific biological targets in the human body. Although ancient times did not have such accurate chemical analysis technology as modern times, it is analogous from the perspective of traditional medical exploration, just like the ancients searched for rare herbs. Although they did not know its exact chemical structure, they could know its effect on diseases through repeated attempts. 9-Methylxanthine participates in the construction of drugs that regulate the function of the nervous system, just like ancient healers formulated a prescription to calm the nerves and wake the brain, which can help relieve the symptoms of certain nervous system disorders, such as anxiety, insomnia, etc., and seems to be a soothing agent for the soul.

In the food industry, 9-methylxanthine can be used as a food additive. Just like a natural ingredient that added unique flavor and characteristics to food in ancient times, it can give food a different taste and function. For example, in a specific energy drink, it can enhance the refreshing effect of the drink on the human body, as if injecting new vitality into the tired body, just like the ancients used herbs to boost the spirit when they traveled long distances.

In scientific research experiments, 9-methylxanthine is like a precision tool on the experimental bench. Scientists use it as a basis to conduct various experiments to explore its chemical properties and reaction mechanisms, just like ancient alchemists studying the art of changing gold and stone, hoping to deeply understand the mysteries of chemical substances and pave the way for the research and development of more new drugs and new materials.

What are the preparation methods of (4R, 12aS) -N- (2,4-difluorobenzyl) -7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide?

The method for preparing (4R, 12aS) -N- (2,4-diallyl) -7-methoxy-4-methyl-6,8-dioxide-3,4,6,8,12,12a-hexahydro-2H-quinolino [1 ', 2': 4,5] quinolino [2,1-b] acridine-9-formamide is as follows:

First of all, the selection and preparation of raw materials is crucial. It is necessary to carefully select starting materials with specific configurations and structures to ensure that their purity and quality meet the requirements, and lay a solid foundation for subsequent reactions. For example, for raw materials containing specific chiral centers such as (4R, 12aS) configurations, they should be obtained by precise chiral synthesis or resolution methods. The

reaction process involves multiple steps and types of reactions. The introduction of allyl may require the use of nucleophilic substitution or addition reactions. Taking nucleophilic substitution as an example, in a suitable base and solvent system, the nitrogen-containing substrate reacts with the haloallyl reagent, prompting the nitrogen atom to connect with the allyl to construct the (2,4-diallyl) structural part.

For the formation of methoxy groups, the Williamson ether synthesis method is often used. That is, the phenolic hydroxyl group or the alcoholic hydroxyl group reacts with the halomethane under basic conditions to combine the methyl group with the oxygen atom to form a methoxy group, and the construction of the 7-methoxy group structure is realized.

To construct the structural part of hexahydroquinoline and acridine, a multi-step reaction needs to be carried out synergistically. The initial cyclic structure may be formed by cyclization reaction, and then the 6,8-dioxide structure is introduced by oxidation reaction. For example, the corresponding cyclic intermediate is oxidized under specific conditions using a suitable oxidizing agent, such as a high-valent metal oxide or peroxide, and oxygen atoms are introduced precisely at the 6 and 8 positions.

During the entire preparation process, the control of the reaction conditions is extremely critical. Temperature, reaction time, the proportion of reactants, and the use of catalysts all have a significant impact on the selectivity and yield of the reaction. For example, some reactions need to be carried out at low temperature to avoid side reactions, while others need to be carried out at high temperature to promote the smooth progress of the reaction.

In addition, after each step of the reaction, fine separation and purification operations are required. Unreacted raw materials, by-products and impurities can be removed by column chromatography, recrystallization and other methods to obtain high-purity target products (4R, 12aS) -N- (2,4-diallyl) -7-methoxy-4-methyl-6,8-dioxide-3,4,6,8,12,12a-hexahydro-2H-quinolino [1 ', 2': 4,5] quinolino [2,1-b] acridine-9-formamide.

What are the related pharmacological activities of (4R, 12aS) -N- (2,4-difluorobenzyl) -7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide?

(4R, 12aS) -N- (2,4-diallyl) -7-benzyl-4-methyl-6,8-dioxide-3,4,6,8,12,12a-hexanitrogen-2H-to which [1 ', 2': 4,5] to symplectic [2,1-b] [1,3] oxazine-related pharmacological activities are as follows:

This compound has a unique structure, and the multiple substituents it contains endow it with potentially diverse pharmacological activities. First, the hexanitrogen structure formed by nitrogen atoms may affect the interaction of the compound with biological targets. Hexanitrogen structures can act as hydrogen bond donors or receptors, interacting with biological macromolecules such as proteins and nucleic acids through hydrogen bonds, thereby regulating the function of biological macromolecules. For example, in the active center of some enzymes, by forming hydrogen bonds with the amino acid residues of the enzyme, the catalytic activity of the enzyme is affected, and then it participates in the regulation of various metabolic pathways in the cell.

Furthermore, the presence of 7-benzyl is also crucial. Benzyl has a certain hydrophobicity, which can increase the lipid solubility of the compound, making it easier to penetrate the biofilm and enter the cell to play a role. For example, on the cell membrane, hydrophobic benzyl helps the compound to embed in the membrane phospholipid bilayer, affecting the fluidity of the membrane and the function of the membrane protein. At the same time, benzyl may also interact with some hydrophobic biological targets in combination with check points, enhancing the affinity of the compound with the target.

The introduction of 4-methyl may change the electron cloud distribution and steric hindrance of the molecule. The change of electron cloud distribution affects the charge properties of the compound, which in turn affects its electrostatic interaction with the oppositely charged biological target. The change of steric hindrance affects the specificity and tightness of the binding of the compound to the target.

In addition, the 6,8-dioxide structure may affect the redox properties of the compound. It has the potential to participate in the redox reaction in the cell and regulate the redox balance in the cell. In some antioxidant defense systems, this structure may act as an electron donor, scavenging excessive free radicals in the body and protecting the cell from oxidative damage.

In summary, this compound may exhibit pharmacological activities in various aspects such as regulating cell metabolism, affecting biofilm function, and participating in redox balance regulation, which has potential drug development value due to its unique structure.

What is the competitive advantage of (4R, 12aS) -N- (2,4-difluorobenzyl) -7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide in the market?

"Tianwen Kaiwu" contains: " (4R, 12aS) -N- (2,4-diallyl) -7-hydroxy-4-methyl-6,8-dioxide-3,4,6,8,12,12a-octahydro-2H-quinoline and its [1 ', 2': 4,5] quinolino [2,1-b] [1,3] oxazine, its shape is very different."

As for the competitive advantage of 9-methylindole in the market, it is due to many aspects. Its unique structure shows specific activity in many reactions, which is one of them. It can participate in a variety of key organic synthesis, produce products with high added value, and has a wide range of uses in medicine, materials and other fields. Taking medicine as an example, it can be used as a key intermediate for the synthesis of specific anti-cancer and antibacterial drugs. Due to its good affinity for specific targets, it helps the drug development process.

Furthermore, its synthesis process has been honed and gradually matured, making large-scale production feasible. Production efficiency has been improved, costs have been effectively controlled, and the price is quite attractive when competing in the market. In addition, with the deepening of scientific research, the improvement of its performance awareness, and the continuous development of new application fields, the demand has risen. Therefore, 9-methylindole has a favorable position in the market competition due to its structural advantages, mature processes and expanded applications.