60617-83-6

Basic information

• Product Name: (3beta,5beta,17xi)-3-[(3-carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide
• CAS NO: 60617-83-6
• Molecular Formula: C₂₈H₃₈O₇
• Molecular Weight: 486.5971
• Mol File: 60617-83-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 664.2°C at 760 mmHg
• Flash Point: 218.1°C
• Density: 1.27g/cm³
• Vapor Pressure: 1.79E-20mmHg at 25°C
• Refractive Index: 1.586
• CAS DataBase Reference: (3beta,5beta,17xi)-3-[(3-carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide(CAS DataBase Reference)
• NIST Chemistry Reference: (3beta,5beta,17xi)-3-[(3-carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide(60617-83-6)
• EPA Substance Registry System: (3beta,5beta,17xi)-3-[(3-carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide(60617-83-6)

Safety Data

• Hazardous Substances Data: 60617-83-6(Hazardous Substances Data)

Usage

General Description

The chemical "(3beta,5beta,17xi)-3-[(3-carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide" is a steroid compound with a complex molecular structure. It is a bufadienolide, which is a class of naturally occurring compounds found in plants and animals. This specific compound contains a carboxypropanoyl group attached to the 3-position, as well as a hydroxy group at the 14-position, and a double bond at the 20-22 position. Bufadienolides have been studied for their potential biological activities, including anti-cancer, anti-inflammatory, and cardioactive properties. The specific effects and potential applications of this compound would depend on further research and experimentation.

Upstream product

• 108-30-5 succinic acid anhydride 
• 465-20-3 bufalin 

Relevant articles and documents

Structure-cytotoxic activity relationship for the toad poison bufadienolides

The toad poison bufadienolides including natural and derivatized compounds were tested for their cytotoxic effects on primary liver carcinoma cells PLC/PRF/5 and their structure-cytotoxic activity relationships were studied. For this study, a ligand-binding model was developed by using a pharmacophore mapping program, Distance Comparisons (DISCO). The structural features that are common to the 3D structures of active bufadienolides were identified to provide approach to a 3D QSAR method by using Comparative Molecular Field Analysis (CoMFA) study and to correlate the steric and electrostatic fields of the molecules to their activities. A valuable model which enables prediction of their activities was obtained from the CoMFA analysis, which may be employed for the drug designs of new bufadienolide analogues. Copyright (C) 1998 Elsevier Science Ltd.