Chemical Name | 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline |
Molecular Formula | C22H15ClFIN3O |
Molecular Weight | 521.73 g/mol |
Appearance | Solid (predicted, based on similar compounds) |
Solubility In Water | Low (due to non - polar nature of the molecule) |
Solubility In Organic Solvents | Soluble in common organic solvents like DMSO, DMF, chloroform (due to non - polar groups) |
Logp | Positive (hydrophobic molecule, so likely to partition into lipid - like phases) |
Chemical Name | 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline |
Molecular Formula | C22H15ClFIN3O |
Molecular Weight | 523.73 g/mol |
Appearance | Solid (predicted, based on similar compounds) |
Solubility | Likely sparingly soluble in water, more soluble in organic solvents like DMSO, predicted from structure |
Logp | Positive value, indicating lipophilicity, predicted from structure |
Vapor Pressure | Very low, predicted for a solid organic compound |
What is the chemical structure of 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline
The chemical structure of 6-iodine-4- [3-chloro-4- (3-fluorobenzyloxy) anilinyl] quinazoline is the object of investigation in the field of organic chemistry. This compound has a delicate structure and is derived from the quinazoline parent body.
The core structure of quinazoline is a nitrogen-containing heterocyclic ring, which is formed by fusing a benzene ring with a pyrimidine ring. At the 6th position of the quinazoline ring, there are iodine atoms connected. The iodine atoms have a large atomic radius and electronegativity, which affect the physical and chemical properties of the molecule. It can change the polarity and lipophilicity of the compound, and may also affect its reactivity and steric resistance. < Br >
is located in the fourth position of the quinazoline ring, and is connected to another benzene ring structure through the aniline group. This aniline group is a key linking group, which not only transfers electronic effects, but also affects the conjugation system of molecules. On the connected benzene ring, there is a chlorine atom at the third position, and the chlorine atom has an electron-absorbing induction effect, which can reduce the electron cloud density of the benzene ring; in the fourth position, there is a 3-fluorobenzoxy group. In the benzyl group, the benzyl group partially contains the benzene ring structure, which can increase the hydrophobicity and space complexity of the molecule. The 3-fluorine atom is substituted on the benzyl benzene ring, and the fluorine atom has strong electronegativity
Such a complex chemical structure endows 6-iodine-4- [3-chloro-4- (3-fluorobenzyloxy) anilinyl] quinazoline with unique physicochemical properties and potential biological activities, which may have important application value in many fields such as medicinal chemistry and materials science.
What is the main use of 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline?
6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline, which is an organic compound. Looking at its delicate structure, it often shoulders an important mission in the field of medicinal chemistry.
One of its uses is to play a key role in the development of anti-tumor drugs. Due to its unique molecular structure, it can interact with specific targets within tumor cells. It can precisely inhibit the activity of certain protein kinases, which play a crucial regulatory role in the proliferation, survival and metastasis of tumor cells, like a helmsman controlling fate. By inhibiting these key protein kinases, the compound is expected to become a sharp edge to restrain the crazy growth and spread of tumor cells, and open up new paths for the creation of anti-tumor drugs.
Furthermore, it may also show its unique value in the exploration of cardiovascular disease-related drugs. The occurrence and development of cardiovascular diseases are closely related to the abnormality of various cell signaling pathways. And this compound may have an impact on these signaling pathways by virtue of its structural properties, thus providing a potential effective strategy for the treatment of cardiovascular diseases. For example, regulating the proliferation and migration of vascular smooth muscle cells, improving the function of vascular endothelial cells, and thus helping to restore the homeostasis of the cardiovascular system.
In addition, it also holds certain possibilities in the field of neurological disease drug research. The pathogenesis of neurological diseases is extremely complex, involving disorders of many neurotransmitters, receptors and signal transduction processes. 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline may affect the release and uptake of neurotransmitters by regulating signal transduction in nerve cells, thus contributing to the improvement of symptoms of neurological diseases and bringing new hope for the development of related drugs.
What are the synthesis methods of 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline
The synthesis method of 6-iodine-4- [3-chloro-4- (3-fluorobenzyloxy) anilinyl] quinazoline has many ways in today's chemical synthesis. The choice of its initial raw materials is related to the simplicity and effectiveness of the whole method.
Or those who start with quinazoline parent, introduce iodine atoms at a specific position first. In this step, a suitable iodizing agent needs to be selected, such as iodine elemental substance with a suitable oxidizing agent, under specific reaction conditions, so that the iodine atoms are precisely connected to 6 positions.
Then, the 3-chloro-4- (3-fluorobenzyloxy) aniline moiety is to be introduced. 3-fluorobenzyloxy alcohol can be halogenated to obtain 3-fluorobenzyl halide, and then reacted with 3-chloro-4-hydroxyaniline containing phenolic hydroxyl groups to form 3-chloro-4- (3-fluorobenzyloxy) aniline.
Finally, the aniline derivative is reacted with the iodine-containing quinazoline intermediate, assisted by an appropriate base and catalyst, through mechanisms such as nucleophilic substitution, to form the target product 6-iodine-4- [3-chloro-4- (3-fluorobenzoxy) phenylamino] quinazoline.
There is also another method, which first constructs the skeleton of the aniline part, and then connects it to the quinazoline fragment. Compounds containing 3-chloro-4-amino and 3-fluorobenzoxy are prepared first, and quinazoline derivatives containing active check points are prepared at the same time. The two are condensed and reacted to obtain the final product.
During the reaction process, the temperature, reaction time and the proportion of the reactants need to be precisely controlled, and the products in each step need to be finely separated and purified, such as column chromatography, recrystallization and other means to ensure the purity and yield of the products and achieve the purpose of synthesis.
What is the safety of 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline
6-Iodine-4- [3-chloro-4- (3-fluorobenzyloxy) anilinyl] quinazoline, this is an organic compound. As for its safety, it is difficult to say in a single word, and it needs to be explored in detail from various angles.
First talk about the chemical structure. This compound has a complex structure, containing halogen atoms such as iodine, chlorine, and fluorine, as well as specific groups such as quinazoline and aniline. The introduction of halogen atoms may change the physical and chemical properties of the compound, and its polarity and stability may be unusual. And quinazoline and aniline structures are common in many bioactive molecules, which may endow the compound with pharmacological activity, but may also increase its potential toxicity. < Br >
Times and toxicity studies. The toxicity experimental data of this specific compound are not detailed at present. However, based on similar structural compounds, those containing phenylamine groups may pose risks of blood toxicity and liver toxicity. Anilines can cause methemoglobinemia, affect the oxygen-carrying capacity of blood; or damage liver cells, interfering with the normal metabolism and detoxification functions of the liver. The substitution of halogen atoms, or change the fat solubility of the compound, makes it easier to accumulate in organisms, increasing the risk of long-term toxicity.
Re-discussion of environmental effects. If this compound is released into the environment, its complex structure or degradation is difficult. The presence of halogen atoms may enable the compound to persist in the environment and be enriched through the food chain. It may have adverse effects on aquatic organisms, soil microorganisms, etc., and destroy the ecological balance.
Repeat the use scenario. If used in scientific research experiments, experimenters should strictly follow safety procedures when operating, wear protective equipment, and operate with good ventilation to prevent compound inhalation, contact with skin or accidental ingestion. If involved in industrial production, complete safety measures are required from raw material procurement, production process to product storage and transportation to prevent environmental pollution and human hazards caused by leakage.
In conclusion, the safety of 6-iodine-4- [3-chloro-4- (3-fluorobenzoxy) anilinyl] quinazoline can only be speculated from the structure and the like due to the lack of specific data. To be sure, targeted experimental studies and practical monitoring are still needed. Caution must be used to ensure the safety of personnel and environmental health.
What is the market outlook for 6-Iodo-4- [3-chloro-4- (3-fluorobenzyloxy) anilino] quinazoline?
Guanfu 6 - Iodo - 4 - [3 - chloro - 4 - (3 - fluorobenzyloxy) anilino] quinazoline is booming in the pharmaceutical industry.
Since the research and development end, many pharmaceutical companies and scientific researchers have been fascinated by it. Because of its unique structure, it contains atoms such as iodine, chlorine, and fluorine, and has the state of quinazoline nuclei connected to benzene rings, this special structure endows it with potential biological activity, which has attracted the attention of developers. Everyone hopes to analyze its mechanism of action and develop new drugs for treating difficult diseases, especially tumor diseases. Due to the treatment of tumors, new and good medicines are urgently needed, and such compounds may be the key to breaking the situation.
As for market circulation, although it has not been widely popularized, it has already emerged. In the clinical trial stage, its preliminary results have attracted the attention of the industry. Some small pharmaceutical companies have taken the lead in relevant research cooperation, hoping to take advantage of it to gain a place in the highly competitive pharmaceutical market.
Furthermore, from the perspective of academic exchanges, relevant academic conferences and research reports have discussed 6 - Iodo - 4 - [3 - chloro - 4 - (3 - fluorobenzyloxy) anilino] quinazoline frequently. Scholars share their results and discuss methods to optimize synthesis to increase productivity and reduce costs; they also study its metabolism and toxicological properties in the body to ensure safety and effectiveness.
Although the road ahead may be bumpy, such as the rigorous clinical verification and the difficulty of marketing activities, it is pushed by the current situation. 6 - Iodo - 4 - [3 - chloro - 4 - (3 - fluorobenzyloxy) anilino] quinazoline is in the pharmaceutical market, like the rising sun, with unlimited potential. In the future, it is expected to become a bright pearl in the field of medicine and contribute to human health and well-being.