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CAS 1417422-00-4

:

B-[5-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid

Description:
B-[5-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid, with the CAS number 1417422-00-4, is a boronic acid derivative characterized by its complex molecular structure, which includes a pyrrolopyridine core, a chloro substituent, and a sulfonyl group attached to a methylphenyl moiety. This compound is notable for its potential applications in medicinal chemistry, particularly in the development of targeted therapies due to its ability to interact with biological targets through reversible covalent bonding. The presence of the boronic acid functional group allows for participation in Suzuki coupling reactions, making it valuable in organic synthesis. Additionally, the sulfonyl group enhances its solubility and stability in various solvents. The compound's unique structural features contribute to its biological activity, which may include inhibition of specific enzymes or pathways, making it a subject of interest in drug discovery and development. As with many boronic acids, it is essential to handle this compound with care, considering its reactivity and potential environmental impact.
Formula:C14H12BClN2O4S
InChI:InChI=1S/C14H12BClN2O4S/c1-9-2-4-11(5-3-9)23(21,22)18-8-13(15(19)20)12-6-10(16)7-17-14(12)18/h2-8,19-20H,1H3
InChI key:InChIKey=RBKQSKSGWGOASE-UHFFFAOYSA-N
SMILES:S(=O)(=O)(N1C=2C(C(B(O)O)=C1)=CC(Cl)=CN2)C3=CC=C(C)C=C3
Synonyms:
  • (5-Chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
  • [5-Chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid
  • Boronic acid, B-[5-chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-
  • B-[5-Chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid
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