Chemical Formula | C35H52F2NO5S |
Molecular Weight | 637.86 g/mol |
Iupac Name | (6S,9R,10S,11S,13S,14S,16R,17R)-17-(((diethylamino)(ethyl)-λ4-sulfaneyl)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate |
Physical State | Solid (predicted, no experimental data found) |
Boiling Point | No data available |
Melting Point | No data available |
Solubility | Limited solubility in water, soluble in organic solvents like chloroform, dichloromethane (predicted) |
Logp | High lipophilicity (predicted due to large non - polar structure) |
Functional Groups | Ketone, alcohol, ester, sulfonium, amine |
Chirality | Multiple chiral centers (8 chiral centers as indicated by (6S,9R,10S,11S,13S,14S,16R,17R)) |
Uv Vis Absorption | Absorption likely in UV region due to conjugated system in steroid backbone (predicted) |
Chemical Formula | C35H52F2NO5S |
Molecular Weight | 638.859 g/mol |
Iupac Name | (6S,9R,10S,11S,13S,14S,16R,17R)-17-(((diethylamino)(ethyl)-λ4-sulfaneyl)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate |
Chemical Name | (6S,9R,10S,11S,13S,14S,16R,17R)-17-(((diethylamino)(ethyl)-λ4-sulfaneyl)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[α]phenanthren-17-yl propionate |
Molecular Formula | C33H49F2NO5S |
Molecular Weight | 611.81 g/mol |
Chemical Formula | C33H50F2NO5S |
Molecular Weight | 611.82 g/mol |
Iupac Name | (6S,9R,10S,11S,13S,14S,16R,17R)-17-(((diethylamino)(ethyl)-λ4-sulfaneyl)carbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate |
What is the chemical structure of (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfaneyl) carbonyl) -6, 9-difluoro-11-hydroxy-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-dodecahydro-3H-cyclopenta [α] phenanthren-17-yl propionate?
This is the chemical structure analysis of (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- ((diethylamino) (ethyl) -lambda 4-thioalkyl) carbonyl) -6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopentano [α] phenyl-17-propionate.
According to its name, this compound has a complex structure. " ( 6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) "shows its three-dimensional configuration, each number corresponds to the carbon position, and S and R represent the configuration of chiral carbon." 17- ((diethylamino) (ethyl) -lambda 4-thioalkyl) carbonyl) "Table 17 carbon is connected with a carbonyl structure containing diethylamino, ethyl and lambda 4-thioalkyl." 6,9-Difluoro "Ming 6 and 9 carbon-fluorine atoms;" 11-hydroxy "table 11 carbon has a hydroxyl group;" 10,13,16-trimethyl "refers to 10, 13, 16 carbon-linked methyl;" 3-oxo "shows that 3 carbon is a carbonyl group;" 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopento [α] phenanthrene "table main skeleton is cyclopento [α] phenanthrene formed by dodecahydro;" 17-propionate "table 17 carbon forms ester bonds with propionic acid.
This compound has a specific substituent and stereo configuration at multiple positions, and its parts are related to each other to form a unique chemical structure.
What are the main uses of (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfaneyl) carbonyl) -6, 9-difluoro-11-hydroxy-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-dodecahydro-3H-cyclopenta [α] phenanthren-17-yl propionate?
This chemical substance is named (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfinyl) carbonyl) -6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopento [a] phenyl-17-propionate.
Its use is more common in the field of medicine and is a key class of steroid compounds. The steroid structure gives it specific biological activity and molecular properties, and plays an important role in drug development. In the pharmaceutical industry, it is often used to develop anti-inflammatory drugs. With its unique molecular structure, this substance can regulate the signaling pathways related to the inflammatory response in the body, effectively reducing inflammatory symptoms, such as redness, swelling, pain, etc. In the treatment of some skin inflammatory diseases, this ingredient may be contained. By topical application, it can directly act on the site of inflammation and relieve skin discomfort.
In addition, it has also shown potential value in the exploration of some endocrine regulation-related drugs. Because of its structural similarities with human endogenous steroid hormones, it may participate in the regulation process of the endocrine system and affect the secretion and metabolism of specific hormones, thus providing new ways and ideas for the treatment of endocrine disorders.
What are the pharmacological properties of (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfaneyl) carbonyl) -6, 9-difluoro-11-hydroxy-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-dodecahydro-3H-cyclopenta [α] phenanthren-17-yl propionate?
(6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) - 17- (((diethylamino) (ethyl) - lambda 4 - thioalkyl) carbonyl) - 6,9 - difluoro - 11 - hydroxy - 10,13,16 - trimethyl - 3 - oxo - 6,7,8,9,10,11,12,13,14,15,16,17 - dodecahydro - 3H - cyclopentyl [α] phenyl - 17 - propionate, the pharmacological properties of this drug are as follows:
This drug has a unique mechanism of action and can precisely act on specific receptors or signaling pathways. The specific groups in its molecular structure interact with biological macromolecules in vivo, like a delicate tenon-mortise fit, triggering a series of biochemical reactions. According to modern understanding, or for binding to receptors on the cell membrane, through signal transduction, it regulates the expression and activity of key proteins in the cell, and then affects the physiological function of the cell.
In terms of curative effect, it has been verified by many experiments and practices, and has shown excellent efficacy in the treatment of specific diseases. It can effectively relieve symptoms and improve the quality of life of patients. For some inflammatory diseases, it can significantly reduce the inflammatory response, just like using good medicine to get rid of evil heat in the body.
However, it also has certain limitations. Some patients may experience adverse reactions after taking the drug, such as mild gastrointestinal discomfort, such as nausea, diarrhea, or allergies. This may be caused by differences in individual constitution and different drug tolerance. And the drug metabolism process is complex, and the metabolic rate varies in different individuals, which may affect the effectiveness of the drug and the chance of adverse reactions.
In addition, the drug dose needs to be precisely controlled. Too little will make it difficult to achieve the expected efficacy. If there is insufficient manpower, it is difficult to defeat the enemy; too much will easily lead to aggravation of adverse reactions, just like excessive medication will damage the righteousness. In clinical application, the dosage should be carefully determined according to the specific situation of the patient, taking into account factors such as age, weight, and illness, in order to achieve the best therapeutic effect and minimize adverse reactions.
What is the method of synthesis of (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfaneyl) carbonyl) -6, 9-difluoro-11-hydroxy-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-dodecahydro-3H-cyclopenta [α] phenanthren-17-yl propionate?
To obtain (6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- ((diethylamino) (ethyl) -lambda 4-thioalkyl) carbonyl) -6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopentano [a] phenyl-17-propionate, the method should be selected according to its chemical structure and characteristics. This compound contains complex ring system and various functional groups, and the synthesis is not easy.
First look at its key structural fragment, the propionate part, which can be obtained by esterification. The corresponding alcohol is reacted with propionic acid or its active derivatives, such as acid chloride and acid anhydride, under suitable catalyst and reaction conditions. Common catalysts such as concentrated sulfuric acid, p-toluenesulfonic acid, etc., the reaction conditions need to consider temperature, solvent, etc. If acid chloride, pyridine and other bases can help the reaction.
Cyclopento [a] phenanthrene ring system is the core of this molecule, and the construction of this ring system can be a multi-step reaction. Or from suitable starting materials, the basic skeleton is constructed by classic organic reactions such as Foucault reaction and Diels-Alder reaction, and then the functional group is converted and modified to achieve the target structure. For example, aromatics and olefins with suitable substituents are selected, and carbon-carbon bonds are formed by Foucault reaction to build a ring system foundation. Subsequent reactions such as oxidation, reduction, and halogenation gradually introduce other functional groups.
Sulfur-containing and nitrogen-containing functional groups can be introduced at suitable stages. If you want to obtain a ((diethylamino) (ethyl) -lambda 4-thioalkyl) carbonyl structure, you can first prepare an active intermediate containing sulfur and nitrogen, and then react with the ring system. Diethylamino ethyl halide can be prepared by the reaction of diethylamine and halogenated ethane, and then reacted with sulfur-containing reagents to obtain the corresponding sulfur compound, and then connected to the ring system by carbonylation reaction. The
synthesis process requires fine planning of the reaction sequence, and protection and deprotection strategies are also critical. Sensitive functional groups, such as hydroxyl groups and carbonyl groups, need to be protected at specific reaction stages to prevent unnecessary reactions, and then deprotected after the reaction to obtain the target product. Synthesis of this compound requires multiple steps of organic synthesis. According to a reasonable strategy and sequence, each step of the reaction needs to be carefully operated, and the reaction conditions and intermediate purity need to be paid attention to to to achieve the target product synthesis.
(6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) -17- (((diethylamino) (ethyl) -lambda 4-sulfaneyl) carbonyl) -6, 9-difluoro-11-hydroxy-10, 13, 16-trimethyl-3-oxo-6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-dodecahydro-3H-cyclopenta [α] phenanthren-17-yl propionate What are the side effects?
(6S, 9R, 10S, 11S, 13S, 14S, 16R, 17R) - 17- (((diethylamino) (ethyl ) - λ⁴ - sulfinyl) carbonyl) - 6,9 - difluoro - 11 - hydroxy - 10,13,16 - trimethyl - 3 - oxo - 6,7,8,9,10,11,12,13,14,15,16,17 - dodecahydro - 3H - cyclopento [a] phenyl - 17 - propionate This substance is a compound of organic chemistry. Its side effects are not detailed in ancient books, but according to current medical research, there may be several. < Br >
First, or disturb the human body's endocrine. The structure of this compound is similar to that of steroid hormones. After entering the body, it may interact with hormone receptors and cause endocrine imbalance. If the secretion and regulation of estrogen and androgen are disturbed, men may see breast hyperplasia, and women may have menstrual disorders.
Second, it may be harmful to the liver. The liver is the hub of human metabolism. When this compound is metabolized by the liver, it may generate toxic intermediates, which damage the structure and function of liver cells. Long-term use may cause abnormal liver function indicators, such as elevated transaminase, and even cause liver parenchymal lesions.
Third, or affect the cardiovascular system. Or cause abnormal function of vascular endothelial cells, make vascular contraction and relaxation imbalance, blood pressure may rise or fall. And or affect blood lipid metabolism, cause abnormal blood lipids, increase the risk of atherosclerosis, and then endanger the blood supply to the heart, causing palpitations, chest tightness and other diseases.
Fourth, the immune system may also be involved. Or interfere with the normal function and signal transduction of immune cells, so that the body's immune response is disordered. Or cause decreased immunity, susceptible to exogenous diseases; or cause immune overload, resulting in autoimmune diseases.