21499-66-1

Basic information

• Product Name: bruceine D
• Synonyms: BRUCEIND;Nsc318801;(1beta,11beta,12alpha,15beta)-13,20-Epoxy-1,11,12,14,15-pentahydroxypicras-3-ene-2,16-dione
• CAS NO: 21499-66-1
• Molecular Formula: C20H26O9
• Molecular Weight: 410.416
• Mol File: 21499-66-1.mol
• Article Data: 0

Chemical Properties

• Melting Point: 294-295℃
• Boiling Point: 661.3°Cat760mmHg
• Flash Point: 235.8°C
• Appearance: /
• Density: 1.60
• Vapor Pressure: 2.65E-20mmHg at 25°C
• Refractive Index: 1.67
• Storage Temp.: 2-8°C
• PKA: 11.55±0.70(Predicted)
• CAS DataBase Reference: bruceine D(CAS DataBase Reference)
• NIST Chemistry Reference: bruceine D(21499-66-1)
• EPA Substance Registry System: bruceine D(21499-66-1)

Safety Data

• Hazardous Substances Data: 21499-66-1(Hazardous Substances Data)

Usage

Description

Bruceine D is a quassinoid compound, characterized by its unique structure with hydroxy groups at positions 1, 11, 12, 14, and 15, and oxo groups at positions 2 and 16. It is derived from the ethanol extract of the stem of Brucea mollis and has demonstrated cytotoxic activity.

Uses

Used in Pharmaceutical Industry:
Bruceine D is used as a cytotoxic agent for its potential application in cancer treatment. The compound's ability to exhibit cytotoxic activity makes it a promising candidate for further research and development in the field of oncology.
Used in Drug Discovery and Development:
As a naturally occurring quassinoid with cytotoxic properties, bruceine D can be utilized in drug discovery and development processes. Researchers can explore its potential to target specific cancer cells or pathways, leading to the creation of novel therapeutic agents.
Used in Cancer Research:
Bruceine D serves as a valuable compound for cancer research, allowing scientists to study its mechanisms of action and interactions with various cellular components. This knowledge can contribute to a better understanding of cancer biology and the development of targeted therapies.

InChI:InChI=1/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1