Chemical Formula | C30H30F2N6O4S |
Molecular Weight | 618.66 g/mol |
Iupac Name | (1R,2S,3S,4R)-3-((5-fluoro-2-(5-fluoro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid |
Appearance | Unknown (assumed solid without experimental data) |
Physical State | Solid (expected, common for organic compounds of this complexity) |
Melting Point | Unknown (no experimental data) |
Boiling Point | Unknown (no experimental data) |
Solubility | Unknown (depends on solvent polarity and compound - solvent interactions) |
Pka | Unknown (acidic groups would have pKa values related to their acidity) |
Logp | Unknown (hydrophobicity parameter, estimated values possible based on structure) |
Reactivity | Likely reactive at the carboxylic acid group (esterification, amide formation), amino group (nucleophilic reactions), and at positions on aromatic rings (electrophilic aromatic substitution) |
Chemical Formula | C31H30F2N6O5S |
Molecular Weight | 632.67 g/mol |
Physical State | Solid (predicted) |
Appearance | White to off - white powder (predicted) |
Melting Point | No data available |
Boiling Point | No data available |
Solubility | Poorly soluble in water (predicted), may have better solubility in organic solvents like DMSO |
Logp | No data available |
Pka | No data available |
Chemical Structure Type | Bicyclic compound with pyrrolo[2,3 - b]pyridine and pyrimidine moieties |
Stability | Stable under normal conditions (predicted), may be sensitive to strong acids, bases, and oxidizing agents |
Chemical Formula | C30H30F2N6O5S |
Molecular Weight | 624.66 g/mol |
Iupac Name | (1R,2S,3S,4R)-3-((5-fluoro-2-(5-fluoro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid |
Physical State | Solid (predicted, based on similar organic compounds) |
Appearance | White to off - white powder (estimated from common organic solid appearance) |
Solubility | Poorly soluble in water (due to large non - polar parts in the molecule), likely soluble in some organic solvents like DMSO, DMF |
Melting Point | No data (but expect it to be in a range typical for organic solids with similar structure, perhaps 150 - 250 °C) |
Pka | No data (but carboxylic acid group likely has pKa around 4 - 5, and other groups may contribute additional pKa values) |
Logp | Positive value (indicating lipophilicity, due to aromatic and hydrocarbon parts in the molecule) |
Chemical Name | (1R,2S,3S,4R)-3-((5-fluoro-2-(5-fluoro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid |
What is the chemical structure of (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid
The chemical structure of this organic compound ((1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid) is composed of several parts.
Looking at the whole, this is a complex structure containing polycyclic and heterocyclic rings. Its core is a dicyclic [2.2.2] octane skeleton with a carboxyl group at the 2 position. This carboxyl group is one of the functional groups and is acidic. It can participate in acid-base neutralization, esterification and other reactions in chemical reactions. At the
3 position, a pyrimidine group is connected by an amino group, and this pyrimidine ring is a six-membered nitrogen-containing heterocycle. The 2nd and 5th positions of the pyrimidine ring are respectively connected with a substituent, the 5th position is a fluorine atom, and the 2nd position is connected with a complex pyrrolido-pyridine structure. The pyrrolido-pyridine ring is formed by fusing the pyrrole ring with the pyridine ring, in which the 1st position of the pyridine ring is connected with a p-toluenesulfonyl group (tosyl) and the 5th position is also connected with a fluorine atom. The interaction of each substituent with the core skeleton gives the compound unique physical and chemical properties. The introduction of fluorine atoms can affect molecular polarity, lipophilicity and biological activity due to its strong electronegativity. P-toluenesulfonyl group can enhance molecular stability and participate in nucleophilic substitution reactions under appropriate conditions. Overall, this complex structure makes the compound potentially useful in organic synthesis and pharmaceutical chemistry.
What are the physical properties of (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid
There is now a substance with the name (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-p-toluenesulfonyl-1H-pyrrolio [2,3-b] pyridine-3-yl) pyrimidine-4-yl) amino) dicyclo [2.2.2] octane-2-carboxylic acid. The physical properties of this substance are related to its morphology, melting point and solubility. < Br >
In terms of its shape, whether it is crystalline, if it is finely crushed ice crystals, or if it is powder, it is as fine as dust, which is determined by its molecular arrangement and crystallization conditions. As for the melting point, the melting point depends on the temperature of the solid-to-liquid, and the strength of the intermolecular force and the regularity of the structure are all key. The complex structure of this compound and the diverse interactions between molecules make it a high melting point, which requires a strong fire to melt. The boiling point is related to the temperature of gasification, and the polarity and quality of the molecules are affected.
Solubility is also an important physical property. In polar solvents, such as water, because of the distribution of polar groups inside the molecules, or slightly soluble, just like drizzle moisturizing sand, partially integrated. In organic solvents, such as ethanol and dichloromethane, because their structures contain hydrophobic parts, they are better in organic solvents with weak polarity or solubility, just like fish entering a river, and they blend seamlessly.
Its density depends on its molecular weight and the degree of packing compactness. Whether it is heavier or lighter than water depends on the characteristics of the molecule. In addition, the refractive index is also one of its physical characteristics. The angle at which light passes through this object can help identify its characteristics, just like light entering a prism, showing a unique light and shadow. All these physical properties are the key to exploring the essence of this object, and are of crucial significance in the fields of chemistry and pharmacy.
What is the synthesis method of (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid
(1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid is a complex organic compound, and the synthesis of this compound requires multiple and delicate reactions.
The choice of starting materials is extremely critical. Pyridine and pyrimidine derivatives with specific substituents are selected. The functional groups contained in the structure can be skillfully converted through subsequent reactions to achieve the construction of the target molecular framework.
The first step can be the coupling reaction between pyrimidine and pyrimidine. In this reaction, under suitable catalyst and reaction conditions, the specific position of 5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridine is coupled with 5-fluoro-2-halogenated pyrimidine to form an intermediate containing a dicyclic heterocyclic structure. This step requires strict control of the reaction temperature, time and catalyst dosage to obtain the ideal yield and selectivity.
Then, the pyrimidine amino group position of the obtained intermediate product is modified. A suitable amination reagent can be used to introduce the amino group of (1R, 2S, 3S, 4R) -bicyclo [2.2.2] octane-2-carboxylic acid derivatives into the 4-position of the pyrimidine ring through nucleophilic substitution reaction to construct a key intermediate containing the connection between the target double ring and the heterocycle. In this step, attention should be paid to the pH and reactivity of the reaction system to avoid side reactions.
Finally, the key intermediates in the synthesis are finely processed, such as deprotection and purification. By column chromatography, recrystallization and other purification methods, impurities can be effectively removed to obtain high-purity target products (1R, 2S, 3S, 4R) - 3 - ((5 - fluoro - 2 - (5 - fluoro - 1 - tosyl - 1H - pyrrolo [2,3 - b] pyridin - 3 - yl) pyrimidin - 4 - yl) amino) bicyclo [2.2.2] octane - 2 - carboxylic acid. Each step of the reaction requires precise operation and strict monitoring to successfully synthesize this complex compound.
(1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid What are the application fields
(1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-p-toluenesulfonyl-1H-pyrrolido [2,3-b] pyrimidine-3-yl) pyrimidine-4-yl) amino) dicyclo [2.2.2] octane-2-carboxylic acid, this compound may have important applications in the field of medicine. Its structure is complex, composed of polycyclic and nitrogen-containing heterocyclic, fluorine atoms, etc. Nitrogen-containing heterocyclic and dicyclic structures may give it the ability to bind to specific biological targets. < Br >
In the process of drug development, it may be used as a potential lead compound. Its unique structure may be able to precisely dock biological macromolecules, such as specific enzymes or receptors. Like in the development of anti-cancer drugs, such fluorine-containing and polycyclic compounds often exhibit good biological activity and pharmacokinetic properties. The introduction of fluorine atoms can enhance the lipid solubility of compounds, promote transmembrane transport, and improve bioavailability. Polycyclic structures can increase the affinity and specificity of binding to targets.
It may also play a role in the exploration of antimicrobial drugs. Complex structures can interfere with key metabolic pathways or cell wall synthesis in bacteria. Or can hinder bacterial protein synthesis, which can bind to related ribosomal proteins or enzymes, causing bacterial growth and reproduction to be inhibited. < Br >
In the field of antiviral drug research and development, it may have potential value. Its structure may block the process of virus entering host cells, or interfere with the replication and transcription of viruses in cells. If it binds to the virus surface protein, it prevents the virus from adsorbing on host cells and achieving antiviral effect.
In short, although its specific activity is not known, this complex structure indicates that it has development potential in many fields of medicine and is expected to become a key component of new therapeutic drugs.
What is the market outlook for (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-tosyl-1H-pyrrolo [2,3-b] pyridin-3-yl) pyrimidin-4-yl) amino) bicyclo [2.2.2] octane-2-carboxylic acid
Today there are compounds, named (1R, 2S, 3S, 4R) -3- ((5-fluoro-2 - (5-fluoro-1-toluenesulfonyl-1H-pyrrolio [2,3-b] pyridine-3-yl) pyrimidine-4-yl) amino) dicyclo [2.2.2] octane-2-carboxylic acid. To observe its market prospects, it is necessary to explore more.
Such compounds may have potential in the field of pharmaceutical research and development. Their unique structure, or can interact with specific targets, has the potential to treat diseases. However, looking at the current market, relevant research has not yet been disclosed, and its exact use and efficacy remain to be further explored.
At the research and development level, synthesizing this compound may be challenging, and its complex structure requires high synthetic skills. If the synthesis problem can be overcome and the yield and purity can be improved, it is expected to further develop the market.
Furthermore, the market competition situation is also the key. Compounds of the same type or similar efficacy may already exist in the market. To stand out, it is necessary to demonstrate unique advantages, such as better curative effect and fewer side effects.
In summary, although (1R, 2S, 3S, 4R) -3- ((5-fluoro-2- (5-fluoro-1-toluenesulfonyl-1H-pyrrolido [2,3-b] pyridine-3-yl) pyrimidine-4-yl) amino) dicyclo [2.2.2] octane-2-carboxylic acids have potential prospects, but in order to emerge in the market, it still needs the efforts of scientific research and market operation, to break the difficulty of synthesis, to understand the long efficacy, and to compete, in order to seek the opportunity for development.