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284734

Sigma-Aldrich

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:
Molecular Weight:
161.16
Beilstein:
129435
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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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This Item
246263I5109576662
assay

99%

assay

98%

assay

98%

assay

97%

form

solid

form

powder

form

-

form

-

mp

232-234 °C (dec.) (lit.)

mp

213-214 °C (lit.)

mp

202-206 °C (lit.)

mp

249-253 °C (lit.)

solubility

95% ethanol: soluble 5%, clear to slightly hazy, light yellow to yellow

solubility

-

solubility

-

solubility

-

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

-

product line

ReagentPlus®

product line

-

product line

-

product line

-

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

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

Certificate of Analysis

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Certificate of Origin

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