92999-93-4

Basic information

• Product Name: 10-Deacetylbaccatin III
• Synonyms: 10-Deacetylbaccatin III
• CAS NO: 92999-93-4
• Molecular Formula: C₂₉H₃₆O₁₀
• Molecular Weight: 544.59
• Mol File: 92999-93-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 231-236℃
• Boiling Point: 716.8 °C at 760 mmHg
• Flash Point: 233.5 °C
• Appearance: White to off-white crystalline powder
• Density: 1.41 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.624
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 11.50±0.70(Predicted)
• Water Solubility: INSOLUBLE
• CAS DataBase Reference: 10-Deacetylbaccatin III(CAS DataBase Reference)
• NIST Chemistry Reference: 10-Deacetylbaccatin III(92999-93-4)
• EPA Substance Registry System: 10-Deacetylbaccatin III(92999-93-4)

Safety Data

• Hazard Codes: T:Toxic
• Statements: R23/24/25:
• Safety Statements: S28A:; S36/37/39:; S38:; S45:
• Hazardous Substances Data: 92999-93-4(Hazardous Substances Data)

Usage

Description

10-Deacetylbaccatin III is a naturally occurring compound and an impurity found in Paclitaxel, a widely used chemotherapeutic drug. It is derived from the bark of the Pacific yew tree (Taxus brevifolia) and has a similar chemical structure to Paclitaxel, with the key difference being the absence of an acetyl group at the C-10 position. 10-Deacetylbaccatin III has attracted interest in the field of cancer research due to its potential role in the development of novel anticancer agents.
Used in Pharmaceutical Industry:
10-Deacetylbaccatin III is used as a starting material for the semi-synthesis of Paclitaxel and its derivatives. It serves as a valuable precursor in the production of these chemotherapeutic agents, which are effective against a variety of cancers, including ovarian, breast, and lung cancer. The semi-synthesis process allows for the development of new and improved cancer treatments with potentially fewer side effects and greater efficacy.
Used in Cancer Research:
10-Deacetylbaccatin III is used as a research tool in the study of cancer biology and the development of novel anticancer drugs. Its structural similarity to Paclitaxel makes it an important compound for understanding the mechanisms of action and resistance to taxane-based chemotherapy. Additionally, it may provide insights into the design of new drugs with improved pharmacological properties and reduced toxicity.
Used in Drug Development:
10-Deacetylbaccatin III is used as a lead compound in the development of new anticancer agents. Its unique chemical structure offers opportunities for chemical modifications and optimization, potentially leading to the discovery of more effective and targeted cancer therapies. Researchers are exploring the potential of this compound and its analogs to target specific cancer cells and pathways, with the goal of improving patient outcomes and quality of life.

InChI:InChI=1/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19+,21+,22+,24-,27-,28+,29+/m0/s1

Relevant articles and documents

Plant antitumor agents. VI. The isolation and structure of taxol, a novel antileukemic and antitumor agent from Taxus brevifolia.

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