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Pyrithiamine bromide hydrobromide

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Identification
Molecular formula
C14H19BrN4O
CAS number
534-67-8
IUPAC name
2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol;bromide;hydrobromide
State
State

At room temperature, pyrithiamine bromide hydrobromide is in a solid state.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.15
Boiling point (Celsius)
260.00
Boiling point (Kelvin)
533.15
General information
Molecular weight
350.22g/mol
Molar mass
350.2200g/mol
Density
2.1300g/cm3
Appearence

Pyrithiamine bromide hydrobromide appears as a crystalline powder. Its color ranges from light yellow to white.

Comment on solubility

Solubility of 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol; bromide; hydrobromide

The solubility of the compound 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol; bromide; hydrobromide can be influenced by several factors:

  • Polarity: As a quaternary ammonium salt, this compound exhibits high polarity, which generally leads to excellent solubility in polar solvents such as water.
  • Ionization: The presence of bromide and hydrobromide groups enhances the ionization of the compound in aqueous solutions, further promoting solubility.
  • Hydrogen bonding: The hydroxyl (-OH) group in the molecular structure can form hydrogen bonds with water, increasing the solubility in polar solvents.

However, the solubility can vary depending on factors such as:

  • Temperature: Generally, increasing temperature leads to enhanced solubility for many compounds.
  • pH of the solution: Changes in pH can affect the ionization state of the compound, thus influencing its solubility.

In conclusion, it can be stated that 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol; bromide; hydrobromide is expected to be highly soluble in polar solvents, particularly in water, due to the factors mentioned above.

Interesting facts

Interesting Facts about 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol; bromide; hydrobromide

This complex compound showcases the fascinating intersection of organic chemistry and medicinal chemistry. Below are some intriguing insights about this compound:

  • Multifunctional Potential: The compound features both a pyridine and a pyrimidine ring, which are known for their roles in biological systems. This structural diversity may lead to potential applications in pharmaceuticals.
  • Biological Significance: Compounds containing amino groups, like this one, can interact with biological molecules. The 4-amino-2-methyl-pyrimidine component may exhibit properties useful in developing new therapeutic agents.
  • Quaternary Amine Characteristics: Being a quarternary ammonium compound, it shows unique properties related to ionization and solubility, which could be beneficial for drug formulation.
  • Inhibition of Pathways: The pharmacophore (the part of the molecule responsible for its biological activity) could potentially interfere with various cellular pathways, offering avenues for research on diseases including cancer.
  • Research Applications: Due to its complexity, scientists explore this compound’s behavior in different environments, thus enhancing our understanding of drug stability and interaction.

Quote from a recent study: "The integration of multiple heterocyclic structures in drug design can significantly increase selectivity and potency against target proteins." This highlights the importance of such compounds in advancing medicinal chemistry.

In summary, 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol; bromide; hydrobromide serves as a compelling example of how diverse chemical structures can foster innovation in the development of new therapeutics.

Synonyms
1-(4-Ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridinium dibromide
PYRITHIAMINE
534-64-5
Pyrithiamine hydrobromide
Pyrithiamin
Pyrithiamine bromide hydrobromide
Neopyrithiamine
Pyrithiamine (hydrobromide)
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide;hydrobromide
5JB3029BJ7
NSC-400971
Neopyrithiamine hydrobromide
Pyridinium, bromide, monohydrobromide
2-Picolinium, bromide, monohydrobromide
1-((4-Amino-2-methylpyrimidin-5-yl)methyl)-3-(2-hydroxyethyl)-2-methylpyridin-1-ium bromide hydrobromide
Pyrithiamin Hydrobromide
EINECS 208-604-8
NSC 400971
UNII-5JB3029BJ7
NEOPYRITHIAMINEHYDROBROMIDE
starbld0009627
PYRITHIAMINE [MI]
SCHEMBL94765
Pyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-, bromide, monohydrobromide
DTXSID80968058
NSC76271
pyrithiamine ion hydrobromide bromide
EX-A10369
NSC-76271
NSC400971
AKOS040755537
FP27348
2-Picolinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-,bromide, monohydrobromide
AS-81706
DB-052339
HY-122273
CS-0083305
Pyrithiamine hydrobromide, ~95%, crystalline
G85628
Q27262418
1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM BROMIDE HYDROBROMIDE (1:1:1)
1-(2-METHYL-4-AMINO-5-PYRIMIDYL)METHYL-2-METHYL-3-HYDROXYETHYLPYRIDINIUM BROMIDE HYDROBROMIDE
1-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium bromide hydrobromide;Neopyrithiamine;Pyrithiamin