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CAS 10047-08-2

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N-[2-[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]phenylalanine

Description:
N-[2-[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]phenylalanine, with CAS number 10047-08-2, is a synthetic compound that belongs to the class of amino acid derivatives. This substance features a phenylalanine backbone, which is an essential amino acid, modified with an acetyl group and a bis(2-chloroethyl)amino moiety. The presence of the bis(2-chloroethyl)amino group suggests potential applications in medicinal chemistry, particularly in the development of anticancer agents, as similar structures are known for their cytotoxic properties. The compound is characterized by its complex structure, which includes aromatic rings and a peptide bond, contributing to its potential biological activity. Its solubility, stability, and reactivity can vary depending on environmental conditions such as pH and temperature. As with many synthetic compounds, safety and handling precautions are essential due to the presence of chlorine atoms, which can pose health risks. Overall, this compound represents a significant interest in pharmaceutical research, particularly in the context of targeted therapies.
Formula:C21H24Cl2N2O3
InChI:InChI=1S/C21H24Cl2N2O3/c22-10-12-25(13-11-23)18-8-6-17(7-9-18)15-20(26)24-19(21(27)28)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,26)(H,27,28)
InChI key:InChIKey=WOJORPYBSQEBBK-UHFFFAOYSA-N
SMILES:N(CCCl)(CCCl)C1=CC=C(CC(NC(CC2=CC=CC=C2)C(O)=O)=O)C=C1
Synonyms:
  • Phenylalanine, N-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-
  • Alanine, N-[[p-[bis(2-chloroethyl)amino]phenyl]acetyl]-3-phenyl-, DL-
  • DL-Phenylalanine, N-[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-
  • Phenylalanine, N-[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-
  • Alanine, N-[[p-[bis(2-chloroethyl)amino]phenyl]acetyl]-3-phenyl-
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