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CAS 42908-33-8

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N-[(4-Methylphenyl)sulfonyl]-β-alanine

Description:
N-[(4-Methylphenyl)sulfonyl]-β-alanine, identified by its CAS number 42908-33-8, is an organic compound characterized by the presence of a β-alanine backbone modified with a sulfonyl group attached to a para-methylphenyl moiety. This compound features a sulfonamide functional group, which contributes to its potential biological activity and solubility properties. The presence of the methyl group on the phenyl ring enhances its lipophilicity, potentially influencing its interaction with biological systems. N-[(4-Methylphenyl)sulfonyl]-β-alanine may exhibit properties such as being a zwitterion due to the amino and carboxylic acid functional groups, which can affect its reactivity and solubility in various solvents. This compound may be of interest in pharmaceutical research, particularly in the development of drugs targeting specific biological pathways. Its structural characteristics suggest potential applications in medicinal chemistry, where modifications to amino acids can lead to novel therapeutic agents. However, specific biological activities and applications would require further investigation through empirical studies.
Formula:C10H13NO4S
InChI:InChI=1S/C10H13NO4S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI key:InChIKey=PPDKUGSOVUQARL-UHFFFAOYSA-N
SMILES:S(NCCC(O)=O)(=O)(=O)C1=CC=C(C)C=C1
Synonyms:
  • N-Tosyl-β-alanine
  • N-[(4-Methylphenyl)sulfonyl]-β-alanine
  • β-Alanine, N-(p-tolylsulfonyl)-
  • N-p-Tolylsulfonyl-β-alanine
  • β-Alanine, N-[(4-methylphenyl)sulfonyl]-
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