860624-88-0

Basic information

• Product Name: 5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER
• Synonyms: Methyl 5-bromo-2,3-dihydro-1H-indole-7-carboxylate;methyl 5-bromoindoline-7-carboxylate;5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER
• CAS NO: 860624-88-0
• Molecular Formula: C₁₀H₁₀BrNO₂
• Molecular Weight: 256.098
• Mol File: 860624-88-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 371.8±42.0 °C(Predicted)
• Appearance: /
• Density: 1.518±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 2.23±0.20(Predicted)
• CAS DataBase Reference: 5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER(860624-88-0)
• EPA Substance Registry System: 5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER(860624-88-0)

Safety Data

• Hazardous Substances Data: 860624-88-0(Hazardous Substances Data)

Usage

Description

5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER is a chemical compound with the molecular formula C10H9BrN2O2. It is a methyl ester derivative of 5-bromo-indoline-7-carboxylic acid, which is commonly used in the synthesis of pharmaceutical and agrochemical compounds. 5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER has potential applications in organic synthesis and medicinal chemistry, as it can serve as a building block for the production of various biologically active molecules. Its unique structure and properties make it a valuable tool for researchers and chemists working in the field of drug discovery and development.

Uses

Used in Pharmaceutical Industry:
5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER is used as a building block for the synthesis of pharmaceutical compounds, due to its potential to produce biologically active molecules.
Used in Agrochemical Industry:
5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER is used as a building block for the synthesis of agrochemical compounds, contributing to the development of new pesticides or other agricultural products.
Used in Organic Synthesis:
5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER is used as a reagent in organic synthesis, enabling the creation of a variety of chemical structures for research and commercial purposes.
Used in Medicinal Chemistry:
5-BROMO-INDOLINE-7-CARBOXYLIC ACID METHYL ESTER is used as a research tool in medicinal chemistry, aiding in the discovery and development of new drugs and therapeutic agents.

Upstream product

• 197460-40-5 1-(1,1-dimethylethyl) 7-methyl 2,3-dihydro-1H-indole-1,7-dicarboxylate 
• 143262-10-6 1-(tert-butoxycarbonyl)indoline 
• 496-15-1 1-indoline 
• 860624-87-9 1-(1,1-dimethylethyl) 7-methyl 5-bromo-2,3-dihydro-1H-indole-1,7-dicarboxylate 

Downstream Products

• 860624-89-1 methyl 5-bromo-1H-indole-7-carboxylate 
• 860624-90-4 5-bromo-1H-indole-7-carboxylic acid 
• 860624-91-5 5-bromo-1H-indole-7-carboxamide 
• 1065177-35-6 5-[3-({[(1S)-1,2-dimethylpropyl]amino}methyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide 
• 1065177-11-8 5-[4-(cyanomethyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide 
• 1065177-33-4 3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-{3-[(dimethylamino)methyl] phenyl}-1H-indole-7-carboxamide 
• 1065177-32-3 3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-{3-[(methylamino)methyl] phenyl}-1H-indole-7-carboxamide 
• 1065184-15-7 3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(3-formylphenyl)-1H-indole-7-carboxamide 
• 1065175-72-5 3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-phenyl-1H-indole-7-carboxamide 
• 1090903-58-4 methyl 5-bromo-1,N-methylindole-7-carboxylate 

Relevant articles and documents

3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent

IκB kinase β (IKKβ or IKK2) is a key regulator of nuclear factor kappa B (NF-κB) and has received attention as a therapeutic target. Herein we report on the optimization of a series of 3,5-disubstituted-indole-7-carboxamides for oral activity. In doing so

3,5-Disubstituted-indole-7-carboxamides: The discovery of a novel series of potent, selective inhibitors of IKK-β

The discovery and hit-to-lead exploration of a novel series of selective IKK-β kinase inhibitors is described. The initial lead fragment 3 was identified by pharmacophore-directed virtual screening. Homology model-driven SAR exploration of the template le

INDOLE CARBOXAMIDES AS IKK2 INHIBITORS

The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.