50820-64-9

Basic information

• Product Name: ETHYL INDOLE-6-CARBOXYLATE
• Synonyms: 6-Ethoxycarbonyl-1H-indole;1H-indole-6-carboxylicacidethylester;Ethyl indole-6-carboxylate
• CAS NO: 50820-64-9
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.21
• Product Categories: Indoles and derivatives
• Mol File: 50820-64-9.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 342.357 °C at 760 mmHg
• Flash Point: 160.852 °C
• Appearance: /
• Density: 1.211 g/cm³
• Vapor Pressure: 7.57E-05mmHg at 25°C
• Refractive Index: 1.62
• Storage Temp.: 2-8°C
• PKA: 15.83±0.30(Predicted)
• CAS DataBase Reference: ETHYL INDOLE-6-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL INDOLE-6-CARBOXYLATE(50820-64-9)
• EPA Substance Registry System: ETHYL INDOLE-6-CARBOXYLATE(50820-64-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 50820-64-9(Hazardous Substances Data)

Usage

Description

ETHYL INDOLE-6-CARBOXYLATE is an off-white solid that serves as a crucial reactant in the synthesis of various compounds, particularly N-substituted indole derivatives. These derivatives have potential applications in the development of novel Mcl-1 inhibitors, which are significant in the field of pharmaceuticals and medicine.

Uses

Used in Pharmaceutical Industry:
ETHYL INDOLE-6-CARBOXYLATE is used as a reactant for the synthesis of N-substituted indole derivatives. These derivatives are essential in the development of novel Mcl-1 inhibitors, which play a vital role in targeting specific proteins associated with various diseases, including cancer. The application of ETHYL INDOLE-6-CARBOXYLATE in this context is to facilitate the creation of new and more effective therapeutic agents.

InChI:InChI=1/C11H11NO2/c1-2-14-11(13)9-4-3-8-5-6-12-10(8)7-9/h3-7,12H,2H2,1H3

Upstream product

• 99985-38-3 4-cyanomethyl-3-nitro-benzoic acid ethyl ester 
• 1670-82-2 Indole-6-carboxylic acid 
• 75-03-6 ethyl iodide 
• 50820-65-0 indole-6-carboxylic acid methyl ester 
• 64-17-5 ethanol 
• 26496-94-6 Ethyl 4-(bromomethyl)benzoate 
• 94-08-6 4-methylbenzoic acid ethyl ester 
• 153602-65-4 isobutyl 6-oxopyrano<4,3-b>pyrrole-1-carboxylate 
• 623-47-2 propynoic acid ethyl ester 
• 153602-63-2 pyrano<4,3-b>pyrrol-6(1H)-one 
• 83901-88-6 4-cyanomethylbenzoic acid ethyl ester 
• 141-78-6 ethyl acetate 

Downstream Products

• 130103-42-3 ethyl 1-phenylsulfonylindole-6-carboxylate 
• 1101929-51-4 1-(4-methoxy-phenylmethyl)-1H-indole-6-carboxylic acid ethyl ester 
• 202745-73-1 1-methyl-1H-indole-6-carboxylic acid 
• 898289-03-7 indole-6-isocyanate 
• 202745-74-2 ethyl 1-methylindole-6-carboxylate 
• 887781-61-5 1-benzenesulfonyl-3-iodo-1H-indole-6-carboxylic acid ethyl ester 

Relevant articles and documents

Tritopic Triazatruxene Ligands for Multicomponent Metal-Organic Frameworks

Multicomponent metal-organic frameworks (MOFs) are built up from multiple ligands that are geometrically distinct. These ligands occupy specific positions in the MOF lattice. Installing different functionalities at precise locations in the framework is an important step in making MOFs for specific applications. This can be achieved by designing functionalized ligands for multicomponent MOFs. Here, we report a simple synthetic procedure for a new tritopic triazatruxene based tricarboxylic acid, H3tat. We show that this ligand can be symmetrically derivatized with various substituents on its nitrogen centres. We report a new isoreticular series of well-ordered quaternary MOFs based on these new triazatruxene ligands together with two linear carboxylate ligands and Zn4O clusters. These MOFs are isostructural to the previously reported MUF-77 series and show similar high surface areas and large pore volumes. Furthermore, H-bonding between the NH sites of the incorporated triazatruxene ligands and guest molecules is employed to modify their fluorescence behavior.

Discovery and structure-activity relationship studies of N-substituted indole derivatives as novel Mcl-1 inhibitors

Myeloid cell leukemia-1 (Mcl-1) is an important antiapoptotic protein functioning through protein-protein interactions. We discovered LSL-A6 (2-((2-carbamoyl-1-(3-(4-methoxyphenoxy)propyl)-1H-indol-6-yl)oxy)acetic acid) with a novel N-substituted indole scaffold to interfere Mcl-1 binding as a novel Mcl-1 inhibitor. Molecular modeling indicated that this compound binds with Mcl-1 by interaction with P2 and R263 hot-spots. Structure modification focused on several moieties including indole core, hydrophobic tail and acidic chain were conducted and structure-activity relationship was analyzed. The most potent compound 24d which exhibited Ki value of 110?nM for interfering Mcl-1 binding was obtained after hit-to-lead modification.

N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR

The present invention relates to the use compounds of formula I which are antagonists of the 5-HT 6 receptor, for treating a cognitive disorder selected from the group consisting of age-related cognitive decline, mild cognitive impairment and dementia