20315-46-2

Basic information

• Product Name: 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
• Synonyms: 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione;beta-ergocryptine;12'-Hydroxy-2'-isopropyl-5'α-[(S)-1-methylpropyl]ergotaman-3',6',18-trione;(5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-[(1S)-1-Methylpropyl]ergotaMan-3',6',18-trione;[5'α(S)]-12'-Hydroxy-2'-(1-Methylethyl)-5'-(1-Methylpropyl)ergotaMan-3',6',18-trione;b-Ergocryptine
• CAS NO: 20315-46-2
• Molecular Formula: C₃₂H₄₁N₅O₅
• Molecular Weight: 575.69844
• EINECS: 243-728-6
• Product Categories: Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Neurochemicals;Pharmaceuticals;Aromatics, Heterocycles, Inhibitors, Neurochemicals, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 20315-46-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 173° (dec)
• Boiling Point: 861.5±65.0 °C(Predicted)
• Appearance: /
• Density: 1.38±0.1 g/cm3(Predicted)
• PKA: 9.61±0.60(Predicted)
• CAS DataBase Reference: 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione(CAS DataBase Reference)
• NIST Chemistry Reference: 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione(20315-46-2)
• EPA Substance Registry System: 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione(20315-46-2)

Safety Data

• RIDADR: 1544
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 20315-46-2(Hazardous Substances Data)

Usage

Description

5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione, also known as β-Ergocryptine, is an ergopeptine and a member of the ergot alkaloids family. It is a derivative of ergot, a fungus that grows on rye and other grains, and has been found to have various pharmacological properties. Its chemical structure allows it to interact with specific receptors in the body, making it a potential candidate for various medical applications.

Uses

Used in Pharmaceutical Industry:
5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione is used as a pharmaceutical compound for its ergot alkaloid properties. It is particularly known for its effects on the central nervous system and has been studied for its potential use in treating conditions such as Parkinson's disease and other movement disorders. Its ability to interact with dopamine receptors makes it a valuable tool in the development of medications for these conditions.
Used in Research Applications:
In the field of research, 5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione is used as a research tool to study the effects of ergot alkaloids on various biological systems. Its interaction with receptors and its potential pharmacological properties make it a valuable compound for understanding the mechanisms of action of ergot alkaloids and their potential therapeutic applications.

Relevant articles and documents

The synthesis of alkaloids of the ergotoxin group. 70. Section on ergot alkaloids

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