What is the chemical structure of 2- [[[[ (3α, 5β, 7α, 12α) -3, 7, 12-Trihydroxy-24-Oxocholan-24-Yl] Amino] Acetyl] Amino] -Ethanesulfonic Acid Monosodium Salt?
This is a rather complex chemical substance named 2 - [[[[( 3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxo-cholane-24-yl] amino] acetyl] amino] ethane sulfonate monosodium salt. To clarify its chemical structure, its name needs to be analyzed first.
In this name, the core structure is derived from the cholane derivative. " (3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxo-cholane-24-yl", showing that the cholane skeleton has hydroxyl groups at positions 3, 7, and 12, and the 24 position is oxo. On one side of the cholane structure, the amino group is connected to the acetyl group, that is, "[[ (3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxycholane-24-yl] amino] acetyl]".
In turn, the amino group is connected to ethanesulfonic acid to form "2 - [[[[( 3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxycholane-24-yl] amino] acetyl] amino] ethanesulfonic acid". Its sulfonic acid group forms a salt with sodium ions, so it is a monosodium salt.
The center is the cholane ring, with 3, 7, and 12 hydroxyl groups in the center and 24 carbonyl groups in the center. The cholane ring is connected to ethanesulfonic acid through amino-acetyl-amino groups, and there are sodium ions in the sulfonic acid.
This chemical structure is complex and the parts are interrelated, giving the substance unique chemical and physical properties, which may be of great significance in the fields of chemistry, medicine, etc.
2- [[[[ (3α, 5β, 7α, 12α) -3, 7, 12-Trihydroxy-24-Oxocholan-24-Yl] Amino] Acetyl] Amino] -Ethanesulfonic Acid Monosodium Salt What are the common uses?
2-%5B%5B%5B%5B%283%CE%B1%2C5%CE%B2%2C7%CE%B1%2C12%CE%B1%29-3%2C7%2C12 - Trihydroxy - 24 - Oxocholan - 24 - Yl%5DAmino%5DAcetyl%5DAmino%5D - Ethanesulfonic Acid Monosodium Salt, the common uses of this substance are as follows:
In the field of medical research, it may be used in the study of liver and gallbladder diseases. Because the structure of this compound contains cholic acid-related structural fragments, cholic acids are often closely related to bile metabolism and liver function. Researchers may explore its effect on bile acid receptors and its efficacy in regulating bile acid synthesis, transport and metabolic pathways, hoping to find new strategies and new drugs for the treatment of diseases such as cholestasis and liver metabolic disorders.
In the field of biochemical experiments, it may serve as a biochemical reagent. With its unique chemical structure, it can be used for the modification and labeling of proteins or enzymes to assist scientists in exploring the interaction mechanism between proteins and specific molecules. For example, by linking it to target proteins, the localization, transportation and function of proteins in cells can be tracked by their special properties.
In the field of analytical chemistry, it may also have application value. Due to its structural characteristics, it can be used as a standard or reference substance in analytical technologies such as high-performance liquid chromatography and mass spectrometry, helping to accurately determine the content and purity of relevant components in biological samples or pharmaceutical preparations, ensuring the accuracy and reliability of analytical results.
2- [[[[ (3α, 5β, 7α, 12α) -3, 7, 12-Trihydroxy-24-Oxocholan-24-Yl] Amino] Acetyl] Amino] -Ethanesulfonic Acid Monosodium Salt What are the physical properties?
2-%5B%5B%5B%5B%283%CE%B1%2C5%CE%B2%2C7%CE%B1%2C12%CE%B1%29-3%2C7%2C12- trihydroxy-24-oxocholane-24-yl %5DAmino%5DAcetyl%5DAmino%5D- ethanesulfonic acid monosodium salt, the physical properties of this substance, is very critical, related to its many uses.
Viewing its shape, under room temperature, often white to white powder, fine texture, this shape is easy to store and transport, and is conducive to subsequent processing.
When it comes to solubility, it shows good solubility in water, can dissolve quickly, form a uniform solution, this characteristic in many application scenarios, such as the preparation of pharmaceutical preparations, some biochemical experimental solutions, etc., provides great convenience, so that it can be quickly mixed with other substances evenly, play a role.
Melting point is also one of its important physical properties. Its melting point is in a specific temperature range, which has a significant impact on its stability and phase transition. Under specific process conditions, controlling the temperature to approach or reach the melting point can realize its phase state change to meet specific production needs, such as shaping during the processing of certain materials.
In addition, the density of the substance is also an important indicator. The appropriate density ensures that it has good dispersion and stability in a specific system, avoids delamination or precipitation caused by excessive density differences, and ensures the uniformity and stability of related products or experimental systems.
The physical properties of this substance are of great significance in various fields of application. In-depth understanding of these properties will help to better play their functions and promote the development of related industries and scientific research.
2- [[[[ (3α, 5β, 7α, 12α) -3, 7, 12-Trihydroxy-24-Oxocholan-24-Yl] Amino] Acetyl] Amino] -Ethanesulfonic Acid Monosodium Salt What is the preparation method?
The method of preparing 2 - [[[[( 3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxocholane-24-yl] amino] acetyl] amino] ethanesulfonate sodium salt is very delicate.
First of all, it is necessary to prepare the starting material of cholic acid, often cholic acid or its derivatives. Cholic acid, derived from animal bile, has a specific steroid structure, and is a synthetic root. Take cholic acid, and chemically modify its functional groups such as hydroxyl and carboxyl at specific positions with suitable reagents and conditions. At the beginning of
modification, or at the hydroxyl groups at positions 3, 7, and 12, specific groups are added by means of esterification, protective group introduction, etc., in order to facilitate the precise progress of subsequent reactions and avoid unnecessary side reactions. Among these, the selection of protective groups is quite critical, which needs to be easy to introduce, stable, and easy to remove at the end of the reaction.
Then, at the carboxyl group 24, a condensation reagent is used to react with an amino-containing compound to construct the [ (3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxo-cholane-24-yl] amino structure. This step requires precise regulation of reaction conditions, such as temperature, pH, reaction time, etc., to ensure product purity and yield.
Next, the resulting product is reacted with acetyl chloride or an acetyl donor, and an acetyl group is introduced at the amino group to obtain [[ (3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxycholane-24-yl] amino] acetyl] structure. This reaction also needs to be carefully controlled to prevent excessive acetylation or other side reactions.
Then react with an aminoethanesulfonic acid-containing reagent to form [[[ (3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxocholane-24-yl] amino] acetyl] amino] ethanesulfonic acid structure.
Finally, react with basic reagents such as sodium hydroxide to form a sodium salt of the sulfonic acid group, and then obtain 2 - [[[[( 3α, 5β, 7α, 12α) -3,7,12-trihydroxy-24-oxocholane-24-yl] amino] acetyl] amino] ethanesulfonic acid sodium salt. After each step of the reaction, the product should be purified by column chromatography, recrystallization, etc. to ensure its purity and achieve the purpose of excellent preparation.
What is the mechanism of action of 2- [[[[ (3α, 5β, 7α, 12α) -3, 7, 12-Trihydroxy-24-Oxocholan-24-Yl] Amino] Acetyl] Amino] -Ethanesulfonic Acid Monosodium Salt in vivo?
2-%5B%5B%5B%5B%283%CE%B1%2C5%CE%B2%2C7%CE%B1%2C12%CE%B1%29-3%2C7%2C12-trihydroxy-24-oxocholane-24-yl %5DAmino%5DAcetyl%5DAmino%5D-ethanesulfonic acid monosodium salt, this compound in vivo, the mechanism of action is quite delicate.
Looking at its structure, it contains a unique cholane skeleton and sulfonic acid groups. In the hepatobiliary system, it seems to be able to precisely regulate the metabolism of bile acids. Or because it fits with bile acid transporters, it is like a tenon-and-mortise connection, which affects the reabsorption and excretion of bile acids. If this process is smooth, it will stabilize the bile acid pool, protect the liver from bile acid overload, and maintain the normal function and structure of liver cells.
In the intestine, it seems to regulate the ecology of intestinal flora. Perhaps by virtue of its own structural characteristics, it creates a suitable habitat for beneficial bacteria while inhibiting the growth of harmful bacteria. In this way, the balance of intestinal microecology is maintained, which has a profound impact on intestinal functions such as nutrient absorption and immune regulation.
In addition, it may also play a key role in signaling pathways. Or mimic certain signaling molecules, activate or inhibit specific signaling pathways, and guide cells to make correct responses such as proliferation, differentiation or apoptosis, which is of great significance for the growth, development and disease defense of organisms. In short, this compound uses its unique structure as the key in organisms to open the door to the regulation of many physiological processes.