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CAS 90580-64-6

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p-Boronophenylalanine

Description:
p-Boronophenylalanine (BPA) is a non-proteinogenic amino acid characterized by the presence of a boron atom attached to the phenyl group of the phenylalanine structure. Its chemical formula is C9H12BNO2, and it is recognized for its potential applications in boron neutron capture therapy (BNCT), particularly in cancer treatment. BPA is typically a white to off-white solid that is soluble in water and exhibits a relatively stable structure under standard conditions. The boron atom in its structure allows for selective targeting of tumor cells, making it a valuable compound in oncological research. Additionally, BPA can participate in various chemical reactions due to its amino and carboxyl functional groups, which can influence its reactivity and interactions with other biomolecules. Its unique properties and functionalities make it a subject of interest in both medicinal chemistry and materials science.
Formula:C9H12BNO4
InChI:InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)
InChI key:InChIKey=NFIVJOSXJDORSP-UHFFFAOYSA-N
SMILES:C(C(C(O)=O)N)C1=CC=C(B(O)O)C=C1
Synonyms:
  • (±)-p-Boronophenylalanine
  • 2-Amino-3-[4-(dihydroxyboranyl)phenyl]propanoic acid
  • 2-Amino-3-[4-(dihydroxyboryl)phenyl]propanoic acid
  • 4-Boronophenylalanine
  • <span class="text-smallcaps">DL</span>-p-Boronophenylalanine
  • Alanine, 3-(p-boronophenyl)-
  • Phenylalanine, 4-borono-
  • DL-p-Boronophenylalanine
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