CAS 79133-10-1

N~2~-{4-[bis(2-chloroethyl)amino]phenyl}-L-glutamine trifluoroacetate (1:2)

Description:

N~2~-{4-[bis(2-chloroethyl)amino]phenyl}-L-glutamine trifluoroacetate (1:2), with CAS number 79133-10-1, is a chemical compound that features a complex structure combining an amino acid derivative with a bis(2-chloroethyl)amino group. This compound is characterized by its potential use in medicinal chemistry, particularly in the development of anticancer agents due to the presence of the chloroethyl moiety, which is known for its alkylating properties. The trifluoroacetate salt form enhances its solubility and stability in various solvents, making it suitable for biological applications. The presence of the L-glutamine component suggests that it may interact with biological systems, potentially influencing metabolic pathways. Additionally, the compound's structure indicates that it may exhibit specific interactions with cellular targets, which could be leveraged for therapeutic purposes. Overall, this compound represents a unique intersection of amino acid chemistry and pharmacological potential, warranting further investigation into its biological activity and therapeutic applications.

Formula: C₁₉H₂₃Cl₂F₆N₃O₇

InChI: InChI=1/C15H21Cl2N3O3.2C2HF3O2/c16-7-9-20(10-8-17)12-3-1-11(2-4-12)19-13(15(22)23)5-6-14(18)21;2*3-2(4,5)1(6)7/h1-4,13,19H,5-10H2,(H2,18,21)(H,22,23);2*(H,6,7)/t13-;;/m0../s1

SMILES: c1cc(ccc1N[C@@H](CCC(=N)O)C(=O)O)N(CCCl)CCCl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O