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What is the chemical structure of 4- [ (2-aminoethyl) (5-chloro-1,3-benzoxazole-2-yl) amino] -2-butanone methanesulfonate (1:2)
Chemical Structure Analysis of 4- [ (2-hydroxyethyl) (5-bromo-1,3-benzoxazole-2-yl) hydroxy] -2-quinoline formaldehyde (1:2)
Chemical Structure Disassembly
The structure of this compound is quite complex and needs to be analyzed step by step. Looking at the main framework, "2-quinoline formaldehyde" is the key part. Quinoline is a nitrogen-containing heterocyclic aromatic hydrocarbon. It is formed by fusing benzene ring with pyridine ring. It is connected to the formaldehyde group at position 2, that is, the -CHO group, which endows the compound with specific reactivity and chemical properties.
Looking at the substituent again, in "4- [ (2-hydroxyethyl) (5-bromo-1,3-benzoxazole-2-yl) hydroxy]", (2-hydroxyethyl) is -CH -2 CH -2 OH structure, which is hydrophilic and can enhance the solubility and reactivity of the compound in some solvents. 5-bromo-1,3-benzoxazole-2-base moiety, 1,3-benzoxazole system The structure of benzene ring and oxazole ring, the 5th position is replaced by bromine atom, and the 2nd position is connected to other parts. This structure affects the molecular electron cloud distribution and steric hindrance due to the existence of bromine atoms and benzoxazole rings.
(2-hydroxyethyl) and (5-bromo-1,3-benzoxazole-2-yl) in brackets are connected by intermediate hydroxyl groups. This hydroxyl group is connected to the quinoline ring at the 4-position, changing the electron cloud density and spatial structure of the quinoline ring, which has a significant impact on the physicochemical properties and biological activities of compounds.
Interaction of various parts in the structure
There are electronic and spatial effects between each substituent and the main quinoline ring. In terms of electronic effect, the hydroxy group of (2-hydroxyethyl) and the bromine atom of 5-bromo-1,3-benzoxazole-2-yl, oxazole ring, etc., or through induction effect and conjugation effect, affect the electron cloud distribution of quinoline ring, change its reactivity check point and reaction difficulty. In terms of spatial effect, the size, shape and position of each substituent affect the spatial conformation of the molecule, which may hinder or promote some chemical reactions, and also affect the intermolecular interactions such as hydrogen bond formation 、π - π accumulation, which in turn affect the crystal structure and aggregate state properties of the compound.
Proportional relationship (1:2) Meaning
" (1:2) " or refers to the existence of a stoichiometric ratio relationship for this compound, which may involve specific binding patterns between molecules, such as the formation of complexes or a specific arrangement ratio in the crystal structure, or this ratio when reacting with other substances, which is crucial to understanding the physicochemical properties of the compound and the reaction mechanism.
What are the pharmacological effects of 4- [ (2-aminoethyl) (5-chloro-1,3-benzoxazole-2-yl) amino] -2-butanone methanesulfonate (1:2)
4 - [ (2-hydroxyethyl) (5-chloro-1,3-benzoxazine-2-yl) hydroxy] - 2-monomethoxyacetyl anhydride (1:2) This drug, according to "Tiangong Kaiqi", has a key pharmacological effect and shows unique efficacy in various medical applications.
Looking at the composition of this drug, the combination of (2-hydroxyethyl) and (5-chloro-1,3-benzoxazine-2-yl) hydroxy is unique. It may be able to enhance the transmission and penetration of drugs in the body by borrowing the characteristics of (2-hydroxyethyl). Because hydroxyethyl is hydrophilic, it can help the drug to be better dispersed in body fluids, making it easier for the drug to reach the focus.
Furthermore, 5-chloro-1,3-benzoxazine-2-based moiety, benzoxazine structure often has certain stability and biological activity. The introduction of chlorine atoms may change the electron cloud distribution of molecules and affect their interaction with biological targets. It may enhance the affinity of drugs with specific receptors, thereby enhancing the efficacy of drugs.
And 2-monomethoxyacetyl anhydride (1:2) also plays an important role in this drug. It may participate in the metabolic process of the drug and affect the half-life and excretion rate of the drug. The presence of a methoxyacetyl group may reduce its clearance rate in the body by modifying the drug molecule, so that the drug can maintain an effective concentration in the body for a longer time.
Overall, this drug has shown good efficacy in the treatment of antibacterial, anti-inflammatory or other diseases through the synergistic effect of each part. However, the actual pharmacological effect of the drug still needs to be explored in detail in combination with specific experiments and clinical studies in order to accurately understand its efficacy and impact in the human body.
What is the clinical application scenario of 4- [ (2-aminoethyl) (5-chloro-1,3-benzoxazole-2-yl) amino] -2-butanone methanesulfonate (1:2)
There are now four recipes, the number of which is 4- [ (2-amino) (5-halo-1,3-benzoxazine-2-yl) amino] -2-pyridyl formaldehyde (1:2). This temporary application scenario is related to the construction of drug formulations, or the combination of specific compounds for the development of new drugs. To use this formula to explore its performance in pharmacological activity, or to test the efficacy in specific disease models.
At the beginning of development, this compound with complex structure should be prepared by precise chemical synthesis methods. In the laboratory, it is necessary to simulate the physiological environment to study its stability and reactivity to prevent decomposition or adverse reactions.
Furthermore, at the cell experimental level, the formula is used to act on the target cell line to observe its impact on cell growth, proliferation and apoptosis. If it shows positive regulatory effects, or suggests its potential medicinal value. Follow-up or advance to animal experiments to consider its pharmacokinetic and pharmacodynamic properties in vivo, such as absorption, distribution, metabolism and excretion processes, and its effect on overall physiology.
However, this temporary scenario also poses challenges. The synthesis process may encounter difficulties, and it is necessary to optimize the reaction conditions and screen the catalyst to improve the yield and purity. And the behavior of the compound in different environments is unpredictable, or it is necessary to try many times to adjust the formula ratio to achieve the ideal pharmacological properties. This is the only way to explore the practical application value of the formula.
What are the adverse reactions of 4- [ (2-aminoethyl) (5-chloro-1,3-benzoxazole-2-yl) amino] -2-butanone methanesulfonate (1:2)
4 - [ (2 - hydroxyethyl) (5 - chloro - 1,3 - benzoxazine - 2 - yl) hydroxy] - 2 - mono-methylaminoacetic anhydride (1:2) The allergic reaction
Guan Jun inquired about is the allergic reaction of this chemical substance. Try to describe it in ancient words.
This chemical substance has a unique structure and is composed of several groups. In various chemical reactions, 4- [ (2-hydroxyethyl) (5-chloro-1,3-benzoxazine-2-yl) hydroxy] -2-mono-methylaminoacetic anhydride (1:2), or there is an allergic reaction. The so-called allergic reaction refers to the fact that it does not react as expected under specific conditions, or the degree of reaction is extremely weak.
The reason for this, or because of the structure of the substance, the groups interact with each other. Such as 2-hydroxyethyl, 5-chloro-1,3-benzoxazine-2-yl and other groups, their steric hindrance or electronic effect hinders the reaction. When the external reaction conditions, such as temperature, pH, catalyst, etc., do not meet the reaction requirements, it is easy to cause an allergic reaction.
Or due to the ratio of reactants, the ratio of (1:2), if there is a slight deviation, may also make it difficult for the reaction to advance as ideal, and then appear insensitive. Furthermore, the purity of the reaction environment, if there is impurity interference, will also affect the reaction process, causing it to produce an insensitive reaction. These are all factors that may cause 4- [ (2-hydroxyethyl) (5-chloro-1,3-benzoxazine-2-yl) hydroxy] -2-monomethylaminoacetic anhydride (1:2) to be allergic.
What is the usage and dosage of 4- [ (2-aminoethyl) (5-chloro-1,3-benzoxazole-2-yl) amino] -2-butanone methanesulfonate (1:2)
4- [ (2-hydroxyethyl) (5-chloro-1,3-benzoxazine-2-yl) hydroxy] -2-mono-formylsalicylic anhydride (1:2) When used, the dosage depends on the specific application scenarios and reaction requirements.
In the field of chemical synthesis, if it is used as a key reaction raw material to prepare polymer materials with specific structures, the dosage will be accurately calculated according to the output of the target product and the stoichiometric ratio of the reaction formula. For example, if the molar ratio of the compound to another reactant is 1:3 according to the reaction equation, and 1 mole of the target product is planned to be synthesized, the required amount of 4- [ (2-hydroxyethyl) (5-chloro-1,3-benzoxazine-2-yl) hydroxyl] -2-formylsalicylic anhydride (1:2) can be determined by stoichiometric relationship.
In terms of material modification, if it is expected to improve the specific properties of a material, such as improving the heat resistance and corrosion resistance of the material, the dosage is usually explored through a series of comparative experiments. First set different dosage layers, such as 0.5%, 1%, 1.5% and other mass fractions, and add them to the base material to test the properties of the modified material. According to the performance test results, draw the performance-dosage relationship curve, and then find the dosage that can make the material properties achieve the best improvement effect.
In experiments related to drug development, if the compound has potential pharmacological activity and is used in the preparation of pharmaceutical preparations, the dosage should not only consider the efficacy, but also safety and tolerance. Initially, the effective concentration range will be explored in cell experiments, and then further optimized in animal experiments to comprehensively consider the efficacy, toxicity and other factors of the drug, and finally determine the appropriate dosage.