1 2 Deoxy Beta D Threo Pentofuranosyl 5 Iodopyrimidine 2 4 1h 3h Dione
Iodobenzene

1 2 Deoxy Beta D Threo Pentofuranosyl 5 Iodopyrimidine 2 4 1h 3h Dione

Fengxi Chemical

Specifications

HS Code

824684

Chemical Name 1-(2-deoxy-beta-d-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
Molecular Formula C9H11IN2O5
Molecular Weight 366.1 g/mol
Appearance Solid (usually white to off - white)
Melting Point Typically in the range of 180 - 190 °C
Solubility Slightly soluble in water, more soluble in polar organic solvents like DMSO
Pka No data found for this compound in common databases
Logp Estimated to be in the range of - 1 to 0 (hydrophilic)
Chemical Structure A pyrimidine - dione ring attached to a 2 - deoxy - beta - D - threo - pentofuranosyl group with an iodine atom at the 5 - position of the pyrimidine ring
Isomeric Form Exists as a single isomer as described by the name with the specific beta - D - configuration of the sugar moiety
Uv Max Absorption maxima in the UV region around 260 - 280 nm characteristic of the pyrimidine ring
Chemical Name 1-(2-deoxy-beta-D-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
Molecular Formula C9H11IN2O5
Molecular Weight 366.10
Appearance Solid (predicted)
Melting Point N/A
Boiling Point N/A
Water Solubility Low (predicted)
Logp -1.72 (predicted)
Pka 2.75 (predicted)
Chemical Structure A bicyclic structure with a pyrimidine-2,4-dione ring fused to a 2-deoxy-beta-D-threo-pentofuranosyl ring, and an iodine atom at the 5 - position of the pyrimidine ring
Chemical Name 1-(2-deoxy-beta-D-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
Molecular Formula C9H11IN2O5
Molecular Weight 366.099
Cas Number 54-42-2
Iupac Name 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Appearance White to off - white solid
Melting Point 190 - 194 °C
Solubility Slightly soluble in water
Pka 8.38
Logp -2.36
Chemical Name 1-(2-deoxy-beta-D-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
Molecular Formula C9H11IN2O5
Molecular Weight 366.1 g/mol
Appearance Typically a white to off - white solid
Melting Point 195 - 199 °C
Solubility Slightly soluble in water, more soluble in polar organic solvents like DMSO
Pka No widely - reported value found; likely related to acidic hydrogens in the dione moiety
Logp Estimated to be in a range indicating some lipophilicity
Crystal Structure Characterized by X - ray crystallography in some studies
Stability Stable under normal conditions, but sensitive to light and oxidation
Packing & Storage
Packing 10 - gram vial packaging for 1-(2 - deoxy - β - D - threo - pentofuranosyl)-5 - iodopyrimidine - 2,4(1H,3H)-dione.
Storage 1-(2 - deoxy - β - D - threo - pentofuranosyl)-5 - iodopyrimidine - 2,4(1H,3H)-dione should be stored in a cool, dry place, away from heat sources and direct sunlight. Keep it in a tightly - sealed container to prevent moisture absorption and potential reaction with air components. Store in a location with controlled temperature, preferably around 2 - 8 °C if refrigerated storage is recommended for long - term stability.
Shipping The chemical "1-(2 - deoxy - β - D - threo - pentofuranosyl)-5 - iodopyrimidine - 2,4(1H,3H)-dione" is shipped in well - sealed containers. Special care is taken to prevent damage, with proper labeling for safe handling during transportation.
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1-(2-deoxy-beta-d-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione 1-(2-deoxy-beta-d-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione 1-(2-deoxy-beta-d-threo-pentofuranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
General Information
Frequently Asked Questions
What is the chemical structure of 1- (2-deoxy-beta-d-threo-pentofuranosyl) -5-iodopyrimidine-2,4 (1h, 3h) -dione?
This is the chemical structure analysis of 1- (2-deoxy-β-D-threpentafuran glycosyl) -5-iodopyrimidine-2,4 (1H, 3H) -dione. It is based on a pyrimidine ring, and there are carbonyl groups at the second and fourth positions on the ring, respectively, in the state of diketones. There is iodine atom substitution at the fifth position, highlighting its unique chemical activity. Externally linked to 2-deoxy-β-D-threpentafuran glycosyl group, the pentose sugar in the glycosyl group is in the configuration of furanose, and it is deoxidized at the second position, and the configuration is β-D. In this structure, the pyrimidine ring gives its base characteristics, and the glycosyl group is involved in the biochemical reactions related to nucle The interaction of various groups jointly determines the physicochemical properties and biological activity of this compound, which has important potential value in the fields of medicine and biochemical research, or involves the study of pharmacological mechanisms such as anti-virus and anti-tumor.
What are the main uses of 1- (2-deoxy-beta-d-threo-pentofuranosyl) -5-iodopyrimidine-2,4 (1h, 3h) -dione?
1- (2-deoxy - β - D-sulfuran) -5-iodopyrimidine-2,4 (1H, 3H) -dione, an organic compound with multiple important uses in the field of medicinal chemistry.
It plays a key role in the development of antiviral drugs. This compound has a special structure and can interact with key enzymes required for virus replication. It acts like a delicate wedge and is inserted into the viral replication mechanism to effectively inhibit the proliferation of viruses. For example, in the study of some DNA viruses, it can interfere with the viral DNA synthesis process, block the virus life cycle, and provide a potential lead compound model for the creation of antiviral drugs.
Furthermore, in the journey of anti-cancer drug exploration, it can also be seen. The crazy proliferation of tumor cells depends on active DNA synthesis. This compound can affect the enzyme activity related to DNA synthesis in tumor cells by virtue of its unique structure, just like putting a brake on the uncontrolled cell proliferation machine, thereby inhibiting tumor cell growth. Studies have shown that some derivatives based on this structural modification have shown significant inhibitory effects on specific tumor cell lines, illuminating the development of anti-cancer drugs.
In addition, in the field of nucleic acid chemistry research, as a special nucleoside analogue, it provides an important tool for in-depth exploration of the mysteries of nucleic acid structure and function. Scientists can introduce it into the nucleic acid system to observe the changes in nucleic acid properties and functions, as if to peer into the microscopic world of nucleic acid, opening a new window and helping to reveal the fine mechanism of genetic information transmission and regulation of life.
What is the synthesis method of 1- (2-deoxy-beta-d-threo-pentofuranosyl) -5-iodopyrimidine-2,4 (1h, 3h) -dione?
The synthesis of 1 - (2 - deoxy - β - D - sulfuran) - 5 - iodopyrimidine - 2,4 (1H, 3H) - dione is a key research in the field of organic synthesis. This compound plays a crucial role in the development of medicinal chemistry, especially antiviral drugs. Today I will describe its synthesis method in detail for you.
The choice of starting materials is very important. 2 - deoxy - β - D - pentafuran sugar and iodopyrimidine derivatives are often used as starting materials. First take 2-deoxy - β - D-pentafuran sugar, in a suitable reaction vessel, add an appropriate amount of organic solvents, such as dichloromethane, acetonitrile, etc., to fully dissolve it. Then add the iodine-containing pyrimidine derivatives slowly. This process needs to pay attention to temperature control and should be maintained in a low temperature environment, usually 0-5 ° C, to prevent side reactions. The addition of
catalysts is also a key step. Lewis acid catalysts, such as boron trifluoride ether complexes, or protonic acids, such as p-toluenesulfonic acid, are often used, depending on the specific reaction needs. The amount of catalyst used is generally 5% to 10% of the number of moles of the substrate. After adding the catalyst, gently stir and gradually heat up to room temperature to allow the reaction to proceed slowly.
The reaction process can be monitored in real time by thin layer chromatography (TLC). When the raw material point gradually fades and the product point is clearly present and no longer changes, the reaction can be regarded as basically complete. At this time, the reaction is terminated, and the reaction mixture is poured into an appropriate amount of saturated sodium bicarbonate solution to neutralize the catalyst and unreacted acidic substances. Subsequently, the organic phase is extracted with an organic solvent several times, the organic phase is combined, dried with anhydrous sodium sulfate, filtered, and the solvent is removed by rotary evaporation to obtain a crude product.
The crude product still needs to be refined to achieve the goal of high purity. With silica gel as the stationary phase and the mixture of petroleum ether and ethyl acetate as the mobile phase, accurate separation was achieved according to the polarity of the product. After elution, collection and concentration, high purity of 1- (2-deoxy - β - D-thu-pentanosyl) - 5-iodopyrimidine - 2,4 (1H, 3H) -dione can be obtained.
Although this synthesis method is complicated, it is precisely controlled in each step to obtain the ideal product, which provides a solid material basis for research and application in related fields.
What are the physical properties of 1- (2-deoxy-beta-d-threo-pentofuranosyl) -5-iodopyrimidine-2,4 (1h, 3h) -dione?
1 - (2 - deoxygenated - β - D - Su-pentafuran glycosyl) - 5 - iodopyrimidine - 2,4 (1H, 3H) - dione, this is an organic compound. Its physical properties are quite critical, and it is related to the application of this compound in different scenarios.
Looking at its appearance, it is often white to off-white crystalline powder, fine and uniform in texture, which is easy to distinguish and handle. As for solubility, it shows good solubility in common organic solvents such as dimethyl sulfoxide (DMSO), and can be easily dispersed to form a uniform solution. However, in water, its solubility is poor, only slightly soluble, and this difference has a profound impact on its use in different media.
When it comes to the melting point, it is between 190 and 195 ° C. In this temperature range, the compound gradually melts from a solid state to a liquid state. This melting point characteristic is of great significance in the purification and identification of the compound. Its purity and structure can be confirmed by means of melting point measurement.
In addition, although the exact value fluctuates slightly according to specific conditions, it is roughly in the range of 1.9-2.1 g/cm ³. This density data is indispensable for considering its distribution and behavior in a specific system.
In addition, the stability of the compound to light and heat is also an important physical property. Under light or heat conditions, decomposition or structural changes will occur within a certain period of time, so it needs to be stored in a cool and dark place to maintain the stability of its chemical structure and properties.
All physical properties are interrelated and jointly determine the application mode and scope of 1 - (2 - deoxygenated - β - D - sulfuran) - 5 - iodopyrimidine - 2,4 (1H, 3H) - diketone in scientific research, medicine and other fields.
What are the applications of 1- (2-deoxy-beta-d-threo-pentofuranosyl) -5-iodopyrimidine-2,4 (1h, 3h) -dione in the field of medicine?
1 - (2 - deoxy - β - D - Su-pentafuranosyl) - 5 - iodopyrimidine - 2,4 (1H, 3H) -diketone, this is an organic compound, which is widely used in the field of medicine.
Looking at its pharmacological properties, it can interfere with the nucleic acid metabolism of cells through specific mechanisms. Nucleic acids are crucial in cell life activities and control the transmission of genetic information and the synthesis of proteins. This compound can precisely act on specific links of nucleic acid synthesis, like a craftsman's tool, to identify key parts in delicate devices to apply force. For example, it can affect the synthesis pathway of pyrimidine nucleotides, just like in a complex production line, interfering with specific processes, thereby hindering the synthesis and repair of cellular DNA. In this way, it has a significant inhibitory effect on cells that proliferate rapidly, such as tumor cells. Because its growth and division depend on vigorous nucleic acid synthesis, this compound acts as a precise key, inserting itself into the keyhole of nucleic acid metabolism in tumor cells, hindering its growth process.
This compound also has outstanding performance in antivirus. After the virus invades the host cell, it will use the mechanism of the host cell to replicate its own nucleic acid. The compound is like a loyal guard, identifying and blocking the key steps of viral nucleic acid replication, just like building a barrier on the channel of viral reproduction, making it difficult to multiply in the host body, thereby reducing the damage of the virus to the body.
In the field of cancer treatment, many studies and practices have shown that this compound can be used as one of the chemotherapy drugs. For some specific types of tumors, such as some leukemia, lymphoma and solid tumors, it can work in coordination with other chemotherapy drugs, or attack alone, inhibiting the growth and spread of tumor cells, providing patients with the hope of alleviating the disease and prolonging life.
In the field of antiviral treatment, for some viral infectious diseases, it may also become a powerful weapon for treatment, helping patients fight against virus invasion and recover health. In short, 1 - (2 - deoxy - β - D - Su - pentafuran) - 5 - iodopyrimidine - 2,4 (1H, 3H) - dione is like a shining star in the field of medicine, which opens up new paths for disease treatment and has important potential value.