CAS 326619-13-0

3-[(2,3-Dihydro-2-methyl-1H-indol-1-yl)sulfonyl]benzoic acid

Description:

3-[(2,3-Dihydro-2-methyl-1H-indol-1-yl)sulfonyl]benzoic acid, identified by its CAS number 326619-13-0, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a sulfonamide group linked to a dihydroindole derivative. This compound typically exhibits properties associated with both acidic and basic functionalities due to the presence of the carboxylic acid group and the sulfonamide. It is likely to be soluble in polar solvents, and its molecular structure suggests potential for biological activity, possibly as a pharmaceutical agent or in medicinal chemistry applications. The presence of the indole ring may contribute to its interaction with biological targets, making it of interest in drug discovery. Additionally, the sulfonyl group can enhance the compound's stability and solubility. Overall, this compound's unique structural features may lead to diverse applications in research and industry, particularly in the fields of organic synthesis and pharmacology.

Formula: C₁₆H₁₅NO₄S

InChI: InChI=1S/C16H15NO4S/c1-11-9-12-5-2-3-8-15(12)17(11)22(20,21)14-7-4-6-13(10-14)16(18)19/h2-8,10-11H,9H2,1H3,(H,18,19)

InChI key: InChIKey=XNIBPBAYVBMMHE-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1C=2C(CC1C)=CC=CC2)C3=CC(C(O)=O)=CC=C3

Synonyms:

• 3-[(2,3-Dihydro-2-methyl-1H-indol-1-yl)sulfonyl]benzoic acid
• Benzoic acid, 3-[(2,3-dihydro-2-methyl-1H-indol-1-yl)sulfonyl]-

3-[(2-Methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid

Controlled Product

CAS: 326619-13-0

3-[(2-Methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid is a synthetic sulfonamide that has been used as an inhibitor of the protein tyrosine phosphatase SHP2. In cell biology, it has been used as a research tool to study the cellular functions of proteins such as ion channels and receptors. 3-[(2-Methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid can be used in pharmacology to study the effects of ligands on cells or tissue. It is also known to activate certain receptors in the brain and central nervous system. This compound is highly pure with a CAS number of 326619-13-0, and it has an ionization constant (pKa) of 7.6 at pH 7.4.

Formula: C₁₆H₁₅NO₄S

Purity: Min. 95%

Molecular weight: 317.4 g/mol

Ref: 3D-BNA61913