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Thiotepa

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Identification
Molecular formula
C6H12N3PS
CAS number
52-24-4
IUPAC name
2-[2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-N-(1-benzyl-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxamide
State
State

At room temperature, thiotepa is a solid.

Melting point (Celsius)
48.50
Melting point (Kelvin)
321.70
Boiling point (Celsius)
325.00
Boiling point (Kelvin)
598.00
General information
Molecular weight
189.22g/mol
Molar mass
189.2190g/mol
Density
1.1560g/cm3
Appearence

Thiotepa typically appears as a crystalline powder with a slightly yellowish to pale beige color.

Comment on solubility

Solubility of 2-[2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-N-(1-benzyl-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxamide

This compound, characterized by its complex structure, displays interesting solubility properties that warrant attention. With the chemical formula C6H12N3PS, it consists of various functional groups that influence its interaction with solvents.

Factors Influencing Solubility

  • Polarity: The presence of polar functional groups, such as amides and hydroxyls, suggests that this compound is likely to be more soluble in polar solvents, such as water and alcohols.
  • Hydrogen Bonding: The potential for hydrogen bonding due to hydroxyl and amine groups can enhance solubility, particularly in aqueous solutions.
  • Molecular Size: The larger and more complex structure may hinder solubility to some extent, especially in non-polar solvents.

It is important to note that while this compound may exhibit reasonable solubility in various polar solvents, practical solubility can fluctuate based on factors such as temperature and concentration. As such, the specific conditions under which solubility is assessed must be carefully considered. Always refer to experimental data for precise determinations related to solubility.

Interesting facts

Interesting Facts about 2-[2-(Benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-N-(1-benzyl-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxamide

This complex compound features a thiazolidine ring, a structural motif that has caught the attention of medicinal chemists for its bioactive potential. Here are some fascinating aspects to consider:

  • Thiazolidine Influence: The thiazolidine core is well-studied for its anti-inflammatory and anti-diabetic properties, linking it to key pharmaceuticals such as thiazolidinediones (TZDs).
  • Multi-Functional Groups: The presence of various functional groups, including benzylamino and phenylacetyl, enhances the compound's versatility. This configuration could result in unique interactions with biological targets.
  • Potential for Drug Development: Considering its structure, this compound may serve as a lead for new therapeutic agents, particularly in the realms of cancer treatment and metabolic disorders.
  • Structure-Activity Relationship: The intricate balance of hydrophobic and hydrophilic characteristics invites detailed studies to understand how modifications to its structure might alter biological activity.
  • Importance in Synthesis: The synthetic routes to prepare such compounds provide insights into organic synthesis techniques. The ability to modify the thiazolidine ring opens avenues towards developing derivatives with enhanced efficacy.

As a compound of high interest, it presents opportunities for further research in fields such as medicinal chemistry and pharmacology, and it stands as a potential candidate for advancing therapeutic options in various diseases.

Synonyms
CHEMBL72751
GR-126045
BDBM50473780