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
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-231-6
Beilstein/REAXYS Number:
129435
MDL number:
InChI key
KMAKOBLIOCQGJP-UHFFFAOYSA-N
InChI
1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
SMILES string
OC(=O)c1c[nH]c2ccccc12
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
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 Merck KGaA, Darmstadt, Germany
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Analytical characterization of some synthetic cannabinoids, derivatives of indole-3-carboxylic acid.
Vadim Shevyrin et al.
Forensic science international, 232(1-3), 1-10 (2013-09-24)
By means of 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), structure of a series from
Xuejin Zhao et al.
Viruses, 13(8) (2021-08-29)
Influenza A viruses are serious zoonotic pathogens that continuously cause pandemics in several animal hosts, including birds, pigs, and humans. Indole derivatives containing an indole core framework have been extensively studied and developed to prevent and/or treat viral infection. This
Mu-Yang Wang et al.
Journal of integrative plant biology, 54(7), 471-485 (2012-05-26)
Camalexin (3-thiazol-2'-yl-indole) is the major phytoalexin found in Arabidopsis thaliana. Several key intermediates and corresponding enzymes have been identified in camalexin biosynthesis through mutant screening and biochemical experiments. Camalexin is formed when indole-3-acetonitrile (IAN) is catalyzed by the cytochrome P450
M U Ahmad et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 23(9), 841-847 (1985-09-01)
The nitrosation of gramine, a tertiary amine alkaloid present in barley malt, was carried out by reaction with sodium nitrite in buffered acetic acid (pH 3.4) for 1 hr at room temperature. Two major non-volatile products of the nitrosation reaction
Jamil A Shilpi et al.
Fitoterapia, 81(6), 536-539 (2010-01-26)
Phytochemical investigation of the stem bark of Trewia nudiflora led to the isolation of two new cardenolides, trewianin (1) and trewioside (2), along with scopoletin (3) and indole-3-carboxylic acid (4). Structures were established by 1D- and 2D NMR spectroscopy, HR-MS
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