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CAS 62978-52-3

:

methyl 4-[bis(2-chloroethyl)amino]phenylalaninate

Description:
Methyl 4-[bis(2-chloroethyl)amino]phenylalaninate, identified by its CAS number 62978-52-3, is a synthetic organic compound that belongs to the class of amino acid derivatives. This substance features a phenylalanine backbone, which is an essential amino acid, modified with a methyl ester group and two bis(2-chloroethyl)amino substituents. The presence of the chloroethyl groups suggests potential reactivity, particularly in nucleophilic substitution reactions, which may be relevant in medicinal chemistry, especially in the development of anticancer agents. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic structure, while the amino and ester functionalities may impart some polar characteristics. Its biological activity may be influenced by the presence of the chloroethyl groups, which are known to participate in alkylation reactions. Overall, this compound's unique structure positions it as a candidate for further research in pharmacology and therapeutic applications, particularly in the context of targeted drug delivery systems or as a potential cytotoxic agent.
Formula:C14H20Cl2N2O2
InChI:InChI=1/C14H20Cl2N2O2/c1-20-14(19)13(17)10-11-2-4-12(5-3-11)18(8-6-15)9-7-16/h2-5,13H,6-10,17H2,1H3
SMILES:COC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N
Synonyms:
  • Phenylalanine, 4-[Bis(2-Chloroethyl)Amino]-, Methyl Ester
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