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CAS 3577-89-7

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N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanyl-L-leucine ethyl ester

Description:
N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanyl-L-leucine ethyl ester, with CAS number 3577-89-7, is a synthetic compound that belongs to the class of amino acid derivatives. This substance features a complex structure characterized by the presence of an acetyl group, a bis(2-chloroethyl)amino moiety, and an ethyl ester functional group. The compound is notable for its potential applications in medicinal chemistry, particularly in the development of anticancer agents due to the presence of the chloroethyl groups, which can form reactive intermediates capable of interacting with DNA. Its amphiphilic nature, stemming from the combination of hydrophilic amino acid components and hydrophobic ester groups, may influence its solubility and bioavailability. Additionally, the compound's stability, reactivity, and pharmacokinetic properties are essential for its efficacy in therapeutic contexts. As with many synthetic compounds, safety and handling precautions are necessary due to the presence of chlorine atoms, which can pose health risks.
Formula:C23H35Cl2N3O4
InChI:InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)/t20?,21-/m0/s1
InChI key:InChIKey=GBPZYMBDOBODNK-LBAQZLPGSA-N
SMILES:N(CCCl)(CCCl)C1=CC=C(CC(C(N[C@H](C(OCC)=O)CC(C)C)=O)NC(C)=O)C=C1
Synonyms:
  • N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanyl-L-leucine ethyl ester
  • L-Leucine, N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanyl-, ethyl ester
  • Leucine, N-[N-acetyl-3-[p-[bis(2-chloroethyl)amino]phenyl]-DL-alanyl]-, ethyl ester, L-
  • Asaley
  • L-Leucine, N-[N-acetyl-4-[bis(2-chloroethyl)amino]-DL-phenylalanyl]-, ethyl ester
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