1094042-01-9

Basic information

• Product Name: 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
• Synonyms: 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride;CYM 5442 hydrochloride;CYM 5442;2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanol;CYM 5442 HCl;CYM5442 , 1094042-01-9;Ethanol, 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-
• CAS NO: 1094042-01-9
• Molecular Formula: C₂₃H₂₇N₃O₄
• Molecular Weight: 446
• Product Categories: Inhibitors
• Mol File: 1094042-01-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 617.5±65.0 °C(Predicted)
• Appearance: /
• Density: 1.27±0.1 g/cm3(Predicted)
• Storage Temp.: Store at -20°C
• Solubility: DMSO: >5mg/mL
• PKA: 14.73±0.10(Predicted)
• CAS DataBase Reference: 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride(1094042-01-9)
• EPA Substance Registry System: 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride(1094042-01-9)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 1094042-01-9(Hazardous Substances Data)

Usage

Description

2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride is a complex organic compound with a unique molecular structure that features a 1,2,4-oxadiazol-3-yl group, a 2,3-dihydro-1H-inden-1-ylamino group, and a 3,4-diethoxyphenyl moiety. 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride has potential applications in various fields due to its specific chemical properties and interactions with biological systems.

Uses

Used in Pharmaceutical Industry:
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride is used as a pharmaceutical agent for its potential role in modulating biological processes. Its complex structure allows it to interact with specific targets in the body, making it a candidate for the development of new drugs.
Used in Chemical Research:
In the field of chemical research, 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride serves as a valuable compound for studying the properties and reactions of complex organic molecules. Its unique structure provides insights into the synthesis and modification of related compounds, contributing to the advancement of organic chemistry.
Used in Biochemical Applications:
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride is utilized in biochemical applications to investigate its interactions with biological molecules, such as proteins and enzymes. Understanding these interactions can lead to the discovery of new biological functions and potential therapeutic applications.
Used in Material Science:
In material science, 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride may be explored for its potential use in the development of new materials with specific properties. Its unique molecular structure could contribute to the creation of materials with tailored characteristics for various applications.

Biochem/physiol Actions

CYM-5442 is a highly-selective S1P1 (Spingosine 1-Phosphate Receptor 1) agonist that activates S1P1-dependent pathways in vitro and to levels of full efficacy in vivo through a hydrophobic pocket, separable from the orthosteric site of S1P binding that is headgroup dependent. This is a different site from those involved in the activities of other agonists such as FTY720 and SEW2871.

Upstream product

• 1093827-52-1 (±)-4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ol 
• 141-43-5 ethanolamine 
• 60899-34-5 4-cyano-2,3-dihydro-1H-inden-1-one 
• 125114-76-3 (±)-1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile 
• 1093827-51-0 N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide 

Relevant articles and documents

NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS

Compounds that activate a sphingosine-1-phosphate receptor of the subtype 1 are provided. Certain compounds selectively activate the receptor subtype 1 in relation to the sphinogosine-1-phosphate receptor subtype 3. Uses and methods of inventive compounds