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What is the chemical structure of 4-amino-1- (2-deoxy-2-fluoro-beta-d-arabinofuranosyl) -5-iodopyrimidin-2 (1h) -one?
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one is an organic compound. The chemical structure of this compound is composed of a delicate combination of several parts.
Looking at its structure, the core is the parent nucleus of pyrimidinone. The pyrimidinone ring has a six-membered ring structure with a carbonyl group at the 2 position. This carbonyl group is the key part of the pyrimidinone structure and has a great influence on the properties and reactivity of the compound.
In the first position, there is a glycosyl moiety connected, that is, 2-deoxy-2-fluoro - β - D-arabinofuranosyl. This glycosyl is furanose structure, and fluorine atoms are deoxygenated and introduced at the second position. The deoxygenation changes the hydrophilicity and reactivity of the glycosyl group; the introduction of fluorine atoms, due to the strong electronegativity of fluorine, significantly affects the electron cloud distribution of the glycosyl part, and then affects the physical and chemical properties of the whole molecule.
Furthermore, there is an iodine atom at the fifth position. The iodine atom is large and has a certain electronegativity. Its existence also affects the spatial structure and electron cloud distribution of the molecule. This iodine atom may participate in many chemical reactions, or affect the interaction of molecules with other substances.
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one The chemical structure is composed of the parent nucleus of pyrimidinone, a special sugar group and an iodine atom. The interaction of each part endows this compound with unique chemical properties and potential biological activities.
What are the main uses of 4-amino-1- (2-deoxy-2-fluoro-beta-d-arabinofuranosyl) -5-iodopyrimidin-2 (1h) -one?
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one, commonly known in Chinese as fludarabine analogues, is a class of organic compounds with important uses in the field of medicinal chemistry. Its main uses are shown in the following numbers:
First, it plays a key role in the development of anti-tumor drugs. Tumor diseases seriously threaten the health of the world, and this compound inhibits the proliferation of tumor cells through a specific mechanism. After in-depth research, it has been found that it can interfere with the nucleic acid synthesis process of tumor cells, just like setting up many obstacles for the chain of tumor cell growth and reproduction, making it difficult for tumor cells to replicate and divide smoothly, thereby inhibiting tumor growth. Numerous scientific research experiments and pre-clinical studies have shown that it exhibits significant inhibitory activity against a variety of tumor cell lines, providing a promising precursor structure for the creation of new anti-tumor drugs.
Second, it has also emerged in the research of antiviral drugs. Viral infectious diseases are widely spread around the world and have a huge impact on human society. The compound can interact with the key protein or nucleic acid required for virus replication by virtue of its unique chemical structure, just like a precise "key" inserted into the "keyhole" of the virus replication mechanism, disrupting the normal replication process of the virus, thereby effectively inhibiting the reproduction of the virus. Some studies have shown that it has a certain inhibitory effect on some specific viruses, opening up a new path for the development of antiviral drugs.
Third, it is helpful for the basic research of new nucleoside drugs. Nucleoside compounds play an important role in the field of medicine. As a special nucleoside analogue, the study of the structure and properties of this compound can provide important theoretical basis and practical experience for the entire research of nucleoside drugs. Through in-depth analysis of it, researchers can gain a more thorough understanding of the structure-activity relationship of nucleoside drugs, that is, how the compound structure affects its pharmacological activity, just like exploring the mystery between building structure and building function, thus laying a solid foundation for the design and development of more efficient and safe nucleoside drugs.
What is the synthesis of 4-amino-1- (2-deoxy-2-fluoro-beta-d-arabinofuranosyl) -5-iodopyrimidin-2 (1h) -one?
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one is a significant organic compound. The synthesis method requires delicate techniques and follows the rules of organic synthesis.
At first, suitable starting materials can be found. Or choose a compound with a pyrimidine structure as the base, supplemented by fluorine-containing and sugar-related raw materials. To obtain the 2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl, fluorine atoms can be introduced by sugar chemistry, starting with appropriate carbohydrates, through a multi-step reaction, and the configuration of β - D - arabinofuranosyl can be constructed at the same time, and the transformation of 2 - deoxygenation can be achieved.
For the pyrimidine ring, amino and iodine atoms need to be introduced at specific positions. The introduction of amino groups, or by means of nucleophilic substitution and other reactions, select suitable amination reagents, and under suitable reaction conditions, replace the pyrimidine ring at specific positions to form an amino group. The introduction of iodine atoms can be achieved through a halogenation reaction, and a suitable iodizing reagent can be selected to precisely control the reaction, so that it can be iodized at the fifth position of the pyrimidine ring. During the
reaction process, the reaction conditions need to be carefully regulated. Temperature, solvent, catalyst and other factors are all related to the rate and selectivity of the reaction. If the temperature is too high, or side reactions increase, the product is impure; if the temperature is too low, the reaction rate will be slow. The properties of the solvent also affect the progress of the reaction. It is necessary to choose a catalyst that has good solubility to each reactant and is conducive to the advancement of the reaction mechanism. The choice of catalyst can accelerate the reaction and improve the yield. However, the appropriate catalyst needs to be carefully selected according to the specific reaction
After each step of the reaction, the product needs to be isolated and purified. Column chromatography, recrystallization, etc. can be used to remove impurities and obtain a purified target product 4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one, so that the synthesized final product reaches the required purity standard.
What are the physical properties of 4-amino-1- (2-deoxy-2-fluoro-beta-d-arabinofuranosyl) -5-iodopyrimidin-2 (1h) -one?
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) -5 - iodopyrimidin - 2 (1H) -one is an organic compound. Looking at its structure, it contains a pyrimidine ketone core and is linked to specific sugar groups and substituents. This unique structure endows it with various physical properties.
First of all, its appearance is often white to white crystalline powder, fine and pure, which is caused by the regular arrangement and interaction of its molecules. In terms of solubility, its solubility in common solvents such as water and ethanol varies. Due to the presence of both polar amino groups and ketone groups in the molecule, as well as hydrophobic sugar groups and halogen atoms, the solubility in water is limited, and the interaction between water molecules and hydrophobic parts is weak. However, in polar organic solvents such as ethanol, the solubility is slightly better. Polar groups can form hydrogen bonds with ethanol and other interactions.
Melting boiling point is also an important physical property. Due to the interaction of hydrogen bonds and van der Waals forces between molecules, it has a certain melting point. Usually, a higher temperature is required to make the molecule overcome the interaction and melt. However, the exact melting boiling point value varies depending on the purity and test conditions. In addition, the compound has certain stability, but the structure may change under extreme conditions such as strong acid, strong base or high temperature and light, because chemical bonds can be broken or rearranged under such conditions. In case of strong acid, the nitrogen atom or protonation on the pyrimidine ketone ring initiates structural and property changes.
In summary, the physical properties of 4-amino-1- (2-deoxy-2-fluoro - β - D-arabinofuranosyl) -5 -iodopyrimidin-2 (1H) -one are determined by its molecular structure, and these properties are of key significance in its synthesis, purification and application.
How safe is 4-amino-1- (2-deoxy-2-fluoro-beta-d-arabinofuranosyl) -5-iodopyrimidin-2 (1h) -one?
4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one is a chemical substance. Its safety is related to many aspects. Let me tell you in detail.
From a chemical structure point of view, this compound contains fluorine, iodine and other halogen elements. The introduction of fluorine atoms often changes the physical and chemical properties of the compound, or increases its fat solubility, making it easier to penetrate the biofilm, but it may also affect its metabolism and distribution in organisms. The iodine atom is relatively large, which may affect the molecular spatial structure and electron cloud distribution, and then affect its interaction with biological macromolecules. This structural property makes the substance exhibit unique biological activity and potential toxicity after entering the organism.
Talking about toxicity, in animal experimental studies, it may be necessary to pay attention to its impact on multi-organ systems. First, on the liver and kidney, this is an important metabolic and excretory organ of the body. Compounds may circulate to the liver through the blood for metabolic transformation. If the metabolic process is abnormal, or cause liver damage, such as hepatocyte necrosis, abnormal liver function indicators, etc. Similarly, the kidneys are responsible for excreting metabolites. If the substance and its metabolites are difficult to excrete, or accumulate in the kidneys, it will cause kidney toxicity. Second, for the nervous system, its structure can pass through the blood-brain barrier, or interfere with the transmission of neurotransmitters, affect the normal function of nerve cells, cause neurobehavioral changes, cognitive impairment, etc. Third, for the reproductive system, it may also affect the formation and development of germ cells, interfere with endocrine balance, affect fertility and embryonic development.
Re-discussion of environmental safety, if this substance enters the environment, its chemical stability may cause it to persist in the environment. In water bodies, or affect aquatic organisms, such as inhibition of algae growth, abnormal physiological functions of fish; in soil, or affect the structure and function of soil microbial communities, and interfere with soil ecosystem material circulation and energy flow. And its potential bioaccumulation, or passed and amplified through the food chain, ultimately threatens human health and ecological balance.
In summary, the safety of 4 - amino - 1 - (2 - deoxy - 2 - fluoro - β - D - arabinofuranosyl) - 5 - iodopyrimidin - 2 (1H) - one needs to be comprehensively and deeply studied, considering its toxic effects in organisms and environmental fate behavior, in order to ensure human health and ecological environment safety.
