222410

5-Methylindole

99%

• Synonym(s): NSC 522562
• Empirical Formula (Hill Notation): C₉H₉N
• CAS Number: 614-96-0
• Molecular Weight: 131.17
• EC Number: 210-400-9
• MDL number: MFCD00005680
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853330
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: solid
• mp: 60-62 °C (lit.)
• SMILES string: Cc1ccc2[nH]ccc2c1
• InChI: 1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
• InChI key: YPKBCLZFIYBSHK-UHFFFAOYSA-N

Description

General description

The binding of 5-methylindole (inducer) to the Escherichia coli trp repressor has been studied. The mass analyzed threshold ionization spectra of jetcooled 5-methylindole (5MI) has also been studied.

Application

Reactant for preparation of:

• Pharmaceutically active 2-oxo-1-pyrrolidine analogues
• Potential anticancer immunomodulators
• Preparation of antifungal agents
• Sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes
• IL2-inducible T-cell kinase (ITK) inhibitors
• Checkpoint 1 kinase inhibitors
• CRTh2 antagonists
• Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment
• Agonists of the histamine H4 receptor
• Monoamine reuptake inhibitors

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves