907602-77-1

Basic information

• Product Name: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester
• Synonyms: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester;tert-Butyl 3-(2-cyanopropan-2-yl)-5-methoxy-1H-indole-1-carboxylate
• CAS NO: 907602-77-1
• Molecular Formula: C18H22 N2 O3
• Molecular Weight: 0
• Mol File: 907602-77-1.mol

Chemical Properties

• Boiling Point: 455.1°C at 760 mmHg
• Flash Point: 229°C
• Appearance: /
• Density: 1.08g/cm³
• Vapor Pressure: 1.8E-08mmHg at 25°C
• Refractive Index: 1.534
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester(907602-77-1)
• EPA Substance Registry System: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester(907602-77-1)

Safety Data

• Hazardous Substances Data: 907602-77-1(Hazardous Substances Data)

Usage

Structure

1H-Indole-1-carboxylic acid derivative with a 3-(1-cyano-1-methylethyl)-5-methoxy group and a 1,1-dimethylethyl ester group

Type

Ester compound

Usage

Commonly used in organic synthesis and pharmaceutical research due to its potential biological activities

Potential properties

May possess various pharmacological properties

Synthesis

Could be used as a building block in the synthesis of novel drug molecules

Applications

Potential applications in the field of agrochemicals and materials science.

InChI:InChI=1/C18H22N2O3/c1-17(2,3)23-16(21)20-10-14(18(4,5)11-19)13-9-12(22-6)7-8-15(13)20/h7-10H,1-6H3

Upstream product

• 896101-79-4 3-(cyanomethyl)-5-methoxy-1H-indol-1-carboxylic acid tertbutyl ester 
• 74-88-4 methyl iodide 

Downstream Products

• 13608-23-6 6-methoxy-4,4-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 
• 896101-81-8 2-(5-methoxy-1H-indol-3-yl)-2-methylpropanonitrile 

Relevant articles and documents

Substituted heteroaryl compounds and compositions and uses thereof

The present invention relates to a novel heteroaromatic compound, and a pharmaceutical composition containing the compound. The heteroaromatic compound or pharmaceutical composition containing the compound can be used for exciting a melatonin receptor. The present invention also relates to a preparation method of the compound and pharmaceutical composition thereof, and application of the compound and pharmaceutical composition in treating central nervous system dysfunction of mammals especially human.

Indole derivatives and their application on the medicament

The invention provides a series of indole derivatives or stereoisomers, tautomers, nitrogen oxides, metabolic products and pharmaceutically acceptable salts or prodrugs thereof. The indole derivatives can be taken as melatonin receptor stimulants. The invention also discloses a pharmaceutical composition containing the compounds, and a use of the compounds or the pharmaceutical composition of the compounds in treating the functional disorder of the central nervous system of mammal and in particular human.

The discovery of carboline analogs as potent MAPKAP-K2 inhibitors

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Mapping the melatonin receptor. 7. Subtype selective ligands based on β-substituted N-acyl-5-methoxytryptamines and β-Substituted N-acyl-5-methoxy-1-methyltryptamines

A series of β-substituted and β,β-disubstituted N-acyl 5-methoxy-1-methyltryptamines and 5-methoxytryptamines have been prepared as melatonin analogues to investigate the nature of the binding site of the melatonin receptor. The affinity of analogues was determined in a radioligand binding assay using cloned human MT1 and MT2 receptor subtypes expressed in NIH 3T3 cells. Agonist and antagonist potency of all analogues was measured using the pigment aggregation response of a clonal line of Xenopus laevis melanophores, β-Methylmelatonin (17a) and β,β-dimethylmelatonin (17b), though showing a slight decrease in binding at human receptors, show an increase in potency on Xenopus, N-Butanoyl 5-methoxy-1-methyl-β,β-trimethylenetryptamine (12c) is an antagonist at human MT1 receptors but an agonist at MT2, while N-butanoyl 5-methoxy-1-methyl-β,β-tetramethylenetryptamine (13c) is an antagonist at MT1 but had no action at MT2 and is one of the first examples of an MT1 selective antagonist.