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CAS 1072946-63-4

:

B-[5-Methyl-2-[[(phenylmethyl)amino]sulfonyl]phenyl]boronic acid

Description:
B-[5-Methyl-2-[[(phenylmethyl)amino]sulfonyl]phenyl]boronic acid, identified by its CAS number 1072946-63-4, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenyl group and a sulfonamide moiety. This compound features a complex structure that includes a methyl group and an amino sulfonyl group, contributing to its potential biological activity. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them valuable in various applications, including drug development and molecular recognition. The sulfonamide group enhances the compound's solubility and reactivity, which can be beneficial in medicinal chemistry. Additionally, the presence of the phenylmethyl group may influence the compound's interaction with biological targets, potentially affecting its pharmacological properties. Overall, this compound's unique structural features suggest it may have applications in therapeutic contexts, particularly in the development of inhibitors or modulators in biochemical pathways.
Formula:C14H16BNO4S
InChI:InChI=1S/C14H16BNO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16-18H,10H2,1H3
InChI key:InChIKey=HHRKXIUUPXKKLE-UHFFFAOYSA-N
SMILES:S(NCC1=CC=CC=C1)(=O)(=O)C2=C(B(O)O)C=C(C)C=C2
Synonyms:
  • Boronic acid, B-[5-methyl-2-[[(phenylmethyl)amino]sulfonyl]phenyl]-
  • B-[5-Methyl-2-[[(phenylmethyl)amino]sulfonyl]phenyl]boronic acid
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