What is the chemical structure of [3,4-difluoro-2- [ (2-fluoro-4-iodophenyl) amino] phenyl] [3-hydroxy-3- (2s) -2-piperidinyl-1-azacyclobutane] ketone?

3,4-Diene-2- [ (2-ene-4-cyanobenzyl) amino] benzyl] [3-furyl-3- (2s) -2-pyridyl-1-oxy-heterocyclobutanyl] acetic acid chemical structure theory
Looking at the description of this chemical structure, although complicated and abnormal, it can be analyzed roughly according to the method of "Tiangongkai".

First look at the "3,4-diene-2- [ (2-ene-4-cyanobenzyl) amino] benzyl" part. Here "3,4-diene" indicates that there are double bonds at positions 3 and 4 on the carbon chain. The existence of this double bond imparts a certain degree of unsaturation and reactivity to the structure. " 2 - [ (2 - alkenyl - 4 - cyanobenzyl) amino] benzyl "indicates that a complex group is connected at the 2 position, wherein (2 - alkenyl - 4 - cyanobenzyl) is connected to the amino group, and the whole is linked to the benzyl group. The benzyl structure contains a benzene ring. The conjugated system of the benzene ring makes the structure more stable, and the presence of cyanyl groups introduces strong electron-absorbing groups, which affect the electron cloud distribution of the molecule.

Look at the section "[3-furyl-3- (2s) -2-pyridyl-1-oxetyl]". Furyl is an aromatic five-membered heterocyclic ring, and its unique electronic structure affects the physical and chemical properties of the entire molecule. " The pyridyl group in 3- (2s) -2-pyridyl "is also a nitrogen-containing heterocyclic ring, the 2-pyridyl group indicates the connection position of the pyridyl ring, and (2s) refers to a specific chiral configuration. The existence of chirality makes the molecule unique in spatial structure, which affects its optical activity and biological activity." 1-oxy heterocyclic butanyl "is a four-membered heterocyclic ring, and its ring tension is relatively large, which makes the molecule have a certain activity.

The last" acetic acid "part, which is a common carboxylic acid structure, carboxyl-COOH is acidic, and many reactions such as esterification and salt formation can occur. This structure is connected by multiple complex groups, and each part affects each other to form a unique chemical structure. Its physical and chemical properties are also determined by the synergy of each group. The complexity of its structure reflects the delicate composition of chemical substances. As "Tiangong Kaiwu" said, everything in the world has its own reason. The analysis of this chemical structure is also to explore the nature of matter.

What are the physical properties of [3,4-difluoro-2- [ (2-fluoro-4-iodophenyl) amino] phenyl] [3-hydroxy-3- (2s) -2-piperidinyl-1-azacyclobutane] ketone?

In "Tiangong Kaiji", the physical properties of [3,4-diene-2- [ (2-ene-4-cyanobenzyl) amino] benzyl] [3-furyl-3- (2s) -2-pyridyl-1-oxetyl] acetic acid are as follows:

Its appearance or a specific color and shape. It has a certain melting point, which is the temperature at which the substance changes from solid to liquid, which is crucial for the identification and purification of the substance. In a specific solvent, it exhibits the corresponding solubility, or it is soluble, soluble, slightly soluble or even insoluble. This characteristic is related to its dispersion and degree of reaction during chemical reactions and preparation.

Its stability is also an important physical property. Under normal temperature and pressure, if it can maintain its own chemical structure and properties without significant changes, it is relatively stable; when it is affected by external factors such as high temperature, strong light, and specific chemical reagents, or reactions such as decomposition and polymerization occur, causing its properties to change.

Furthermore, the polarity of the substance also affects its many properties. The strength of polarity determines its interaction with other polar or non-polar substances, and this characteristic is reflected in separation, purification, and mixing with other substances.

also has density, which is the mass of the substance per unit volume. In chemical production, storage and transportation, density data is of great significance for container selection and material measurement.

In addition, the substance may also have optical properties such as refractive index, which reflects the degree of refraction of light when passing through the substance, and can be used as an important basis for analysis and identification of the substance.

What are the main uses of [3,4-difluoro-2- [ (2-fluoro-4-iodophenyl) amino] phenyl] [3-hydroxy-3- (2s) -2-piperidinyl-1-azacyclobutane] ketone?

The main use of [3,4-diene-2- [ (2-enyl4-cyanobenzyl) amino] benzyl] [3-furyl-3- (2s) -2 -pyridyl-1 -oxetyl] acetic acid is in the field of pharmaceutical synthesis, playing a key role. This compound is a key intermediate in many drug development processes.

In the creation of anti-tumor drugs, its structural properties enable it to be linked to other active groups through specific chemical reactions to construct novel drug molecules with the ability to target tumor cells. By precisely acting on specific targets of tumor cells, it may be able to achieve high-efficiency tumor suppression and reduce damage to normal cells, enhancing the efficacy and safety of drug therapy.

In the development of antiviral drugs, this compound may interfere with virus replication and invasion of host cells by virtue of its unique chemical structure. By specifically binding to virus-related proteins, it inhibits the activity of key virus enzymes and hinders the life cycle of viruses, thus achieving the purpose of antivirus.

In addition, in the field of drug development for the treatment of neurological diseases, it may be able to regulate neurotransmitter transmission, repair damaged nerve cells, and provide an important structural basis and potential application direction for the development of therapeutic drugs for neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease.

In summary, this [3,4-diene-2- [ (2-enyl4-cyanobenzyl) amino] benzyl] [3-furyl-3- (2s) -2 -pyridyl-1-oxoheterocyclobutanyl] acetic acid has broad application prospects in the field of medicine, providing a key foundation and important direction for innovative drug development.

What are the synthesis methods of [3,4-difluoro-2- [ (2-fluoro-4-iodophenyl) amino] phenyl] [3-hydroxy-3- (2s) -2-piperidinyl-1-azacyclobutane] ketone?

To prepare [3,4-diene-2- [ (2-ene-4-cyanobenzyl) amino] benzyl] [3-naphthyl-3- (2s) -2-pyridyl-1-oxy heterocyclic butanyl] acetic acid, according to the following methods:

First, the benzyl halide containing a specific substituent is condensed with the amide containing an alkene and a cyanyl group to generate the key intermediate. This step requires selecting a suitable solvent, such as dichloromethane, N, N-dimethylformamide, etc., and using potassium carbonate, triethylamine, etc. as acid binding agents, and reacting under the conditions of room temperature to heated reflux, so that the halogen atom of benzyl halide can be condensed smoothly with the amine group. Subsequently, the obtained intermediate is reacted with a reagent containing naphthyl, pyridyl and oxy-heterocyclic butanyl under base catalysis. The base can be selected from sodium hydroxide, sodium hydride, etc., and reacted in a suitable organic solvent such as tetrahydrofuran, and the temperature and reaction time are controlled to form a target product.

Second, the benzyl derivative containing alkenyl and cyanyl is prepared first, and its amino group is protected to prevent it from interfering in subsequent reactions. The protecting group can be selected from tert-butoxycarbonyl (Boc), etc. After that, the protected derivative is reacted with another halide containing a specific substituent to form a carbon-carbon bond. This reaction can be heated in a solvent such as toluene and dioxane under a palladium-catalyzed system, such as tetra (triphenylphosphine) palladium, with the participation of suitable ligands and bases. After the carbon-carbon bond is formed, the amino protecting group is removed, and then condensed with the reagent containing the acetic acid structure. It can be reacted in a solvent such as dicyclohexyl carbodiimide (DCC), 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDC · HCl), etc., in a solvent such as dichloromethane, to obtain the target acetic acid compound.

Third, with compounds containing naphthyl, pyridyl and oxy-heterocyclobutanyl as starting materials, first introduce active groups that can react with benzyl derivatives containing alkenyl and cyanyl, such as hydroxyl, carboxyl, etc. If it is a hydroxyl group, it can be converted into a halogen atom, such as reacting with phosphorus tribromide and thionyl chloride to obtain bromine and chlorine substituents, respectively. Then it reacts with benzyl amides containing alkenyl and cyanyl groups to form the precursor of the target product. Finally, through suitable reaction conditions, such as hydrolysis and substitution under acidic or basic conditions, it is converted into [3,4-diene-2- [ (2-ene-4-cyanobenzyl) amino] benzyl] [3-naphthyl-3- (2s) -2-pyridyl-1-oxetyl] acetic acid.

How safe is [3,4-difluoro-2- [ (2-fluoro-4-iodophenyl) amino] phenyl] [3-hydroxy-3- (2s) -2-piperidinyl-1-azacyclobutane] methanone?

The safety of [3,4-diene-2- [ (2-enyl4-cyanobenzyl) amino] benzyl] [3-naphthyl-3- (2s) -2-pyridyl-1-oxetyl] acetic acid is of paramount importance.

This compound has a complex structure and contains many special groups. 3,4-diene-2- [ (2-enyl4-cyanobenzyl) amino] benzyl moiety, ethylenically bonds coexist with cyano, amino and other functional groups. The alkenyl bond has high reactivity and is prone to reactions such as addition and oxidation; the cyanyl group has certain toxicity and can participate in a variety of reactions such as nucleophilic substitution, or affect the organism. The amino group in the (2-alkenyl-4-cyanobenzyl) amino group is basic and can react with acids and other substances to change the properties of the compound.

Furthermore, [3-naphthyl-3- (2s) -2-pyridyl-1-oxacyclobutanyl] part, the naphthyl group is a fused cyclic aromatic hydrocarbon, which has certain hydrophobicity and stability, but may also participate in π-π stacking and other effects. Pyridyl groups contain nitrogen heterocycles, which are basic and have the ability to coordinate, and can form complexes with metal ions. Although oxetyl is relatively stable, it may react under specific conditions, such as high temperature, strong acid and alkali, or when there is a suitable catalyst.

From this perspective, this acetic acid compound reacts in the environment due to the characteristics of each group or with surrounding substances. For organisms, its toxicity, biodegradability, bioaccumulation and other safety indicators are difficult to judge. It is necessary to undergo rigorous experiments, such as cytotoxicity experiments and animal experiments, to consider its impact on different cell lines and animal bodies, and to determine half lethal dose and other indicators; it is also necessary to study its degradation pathway and rate in the environment to understand its potential harm to the ecological environment. Only through such studies can we obtain its exact safety conclusion.