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
Beilstein:
129435
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
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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 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
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