284734

Indole-3-carboxylic acid

ReagentPlus^®, 99%

• Synonym(s): β-Indolylcarboxylic acid, 3-Carboxyindole, 3-Indole formic acid, 3-Indolylcarboxylic acid, Indole-β-carboxylic acid
• Empirical Formula (Hill Notation): C₉H₇NO₂
• CAS Number: 771-50-6
• Molecular Weight: 161.16
• Beilstein: 129435
• EC Number: 212-231-6
• MDL number: MFCD00005624
• PubChem Substance ID: 24857174
• NACRES: NA.22

Properties

• Quality Level: 100
• product line: ReagentPlus^®
• Assay: 99%
• form: solid
• mp: 232-234 °C (dec.) (lit.)
• solubility: 95% ethanol: soluble 5%, clear to slightly hazy, light yellow to yellow
• SMILES string: OC(=O)c1c[nH]c2ccccc12
• InChI: 1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
• InChI key: KMAKOBLIOCQGJP-UHFFFAOYSA-N

Description

General description

The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy (FT-IR).

Application

Reactant for preparation of:

• Anticancer agents
• Derivatives of amino acids and peptides
• Serotonin 5-HT4 receptor antagonists
• Primary acylureas
• Inhibitors of Gli1-mediated transcription in the Hedgehog pathway
• Serotonin 5-HT6 antagonists
• Very Late Antigen-4 (VLA-4) sntagonists
• EphB3 receptor tyrosine kinase inhibitors
• Potential Therapeutic Agent for Alzheimer′s Disease
• Vinyl ester pseudotripeptide proteasome inhibitors

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves