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Thiamine pyrophosphate

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Identification
Molecular formula
C12H17N4O7P
CAS number
154-87-0
IUPAC name
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;pyridine-3-carboxylate
State
State

At room temperature, thiamine pyrophosphate is typically a solid. It is known to decompose before melting in the presence of heat, which is common for larger ionic compounds and many organophosphate compounds. It is stable under recommended storage conditions, which usually avoid light and heat.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
710.00
Boiling point (Kelvin)
983.15
General information
Molecular weight
507.01g/mol
Molar mass
507.0130g/mol
Density
1.4512g/cm3
Appearence

Thiamine pyrophosphate is typically an off-white to pale yellow crystalline powder. It is hygroscopic and has a slight, characteristic odor. It is soluble in water and tends to form hydrochloride salt for stability and solubility purposes.

Comment on solubility

Solubility Overview

The solubility of the compound 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate can be analyzed considering the various functional groups present within its structure.


Factors Influencing Solubility

Several factors contribute to the solubility characteristics of this compound:

  • Ionization: The presence of the dihydrogen phosphate group indicates potential for ionic solubility. Salts of phosphate often display high solubility in water.
  • Polarity: The aromatic ring and various functional groups (like amino and carboxylate) enhance the molecule's polarity, leading to better solubility in polar solvents.
  • Hydrogen Bonding: Functional groups capable of forming hydrogen bonds can interact favorably with solvents, promoting solubility.

Solubility Characteristics

In general, one might expect the solubility of this complex molecule to exhibit:

  • Increased solubility in aqueous solutions due to ionic and polar character.
  • A variable solubility profile in organic solvents, dependent on their polarity.
  • Potential for enhanced solubility in buffered solutions due to the presence of multiple ionizable functional groups.

As with many compounds of similar structure, conducting experimental solubility tests in different solvents would provide a clearer picture of its solubility behavior. Understanding solubility is crucial, as it affects the compound's reactivity, bioavailability, and overall efficacy in various applications.

Interesting facts

Interesting Facts About 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate

This compound is a fascinating example of the intricate world of medicinal chemistry, showcasing how small changes in molecular structure can lead to significant increases in biological activity. Here are some key insights about this unique compound:

  • Bioactivity: The presence of a thiazolium ring combined with a pyrimidine moiety can contribute to enhanced reactivity and specificity towards certain biological targets, potentially making this compound a candidate for drug development.
  • Amino Group Significance: The amino group in the pyrimidine structure can facilitate interactions with biological macromolecules, enhancing the compound's functionality and therapeutic potential. As scientists like to say, "the side chains are where the magic happens!"
  • Phosphate Group: The inclusion of a dihydrogen phosphate group allows for *phosphorylation reactions*, which are critical in numerous biological processes, including signaling pathways and energy transfer mechanisms.
  • Hybrid Structures: The compound’s unique hybrid nature, consisting of multiple heterocycles, demonstrates the versatility of organic chemistry in synthesizing compounds with diverse properties and functions.
  • Potential Applications: This compound could be explored in various fields, including medicinal chemistry, biochemistry, and agricultural science, where its various components may provide benefits such as anti-cancer properties or improving plant resilience.

In conclusion, 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; pyridine-3-carboxylate is not just another chemical compound; it embodies the complexities of chemical interactions and the potential for innovation in drug design and development. Its structural versatility continues to intrigue scientists, wherein each component may unlock new pathways for research and application.

Synonyms
17176-44-2
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate
DTXSID90274854