415927-29-6

Basic information

• Product Name: (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one
• Synonyms: (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one;Estr-4-en-3-one, 17-(acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-,(7a,17b)-;(7α,17β)-3-oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate
• CAS NO: 415927-29-6
• Molecular Formula: C34H51F5O3S
• Molecular Weight: 634.823956
• Mol File: 415927-29-6.mol

Chemical Properties

• Boiling Point: 626℃
• Flash Point: 332℃
• Appearance: /
• Density: 1.16
• CAS DataBase Reference: (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one(415927-29-6)
• EPA Substance Registry System: (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one(415927-29-6)

Safety Data

• Hazardous Substances Data: 415927-29-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one is used as an intermediate in the synthesis of Fulvestrant, a novel steroidal estrogen antagonist. (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one is utilized for its antineoplastic (hormonal) properties, specifically in the development of treatments for hormone receptor-positive breast cancer. Fulvestrant works by binding to estrogen receptors, blocking the hormone's ability to stimulate cancer cell growth and proliferation.
In the pharmaceutical industry, the compound plays a crucial role in the development of new drugs that target hormone-dependent cancers. Its unique structure and properties make it a valuable asset in the ongoing research and development of novel cancer therapies. (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one's ability to act as an estrogen antagonist without exhibiting partial agonist activity is particularly noteworthy, as it may offer a more targeted and effective treatment option for patients with hormone receptor-positive breast cancer.
Additionally, the compound's synthesis and use in the development of Fulvestrant may also contribute to the broader understanding of steroidal estrogen antagonists and their potential applications in cancer treatment. This knowledge could lead to the discovery of new compounds and therapies that can further improve patient outcomes and address the complex challenges associated with hormone-dependent cancers.

Upstream product

• 4999-76-2 3,17β-diacetoxyoestra-3,5-diene 
• 434-22-0 19-nortestosterone 
• 148757-89-5 1-bromo-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonane 
• 2590-41-2 6-dehydro-19-nortestosterone acetate 
• 148043-73-6 4,4,5,5,5-pentafluorpentan-1-ol 
• 3937-56-2 1,9-Nonanediol 
• 55362-80-6 9-bromononan-1-ol 
• 511545-94-1 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl alcohol 
• 511545-93-0 2-(9-hydroxynonyl)-2-thiopseudourea hydrobromide 
• 252947-01-6 1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane 
• 875573-62-9 9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl magnesium bromide 

Relevant articles and documents

PROCESS AND INTERMEDIADES FOR THE PREPARATION OF 7-ALKYLATED STEROIDS

A process for preparing compounds of formula (I), or a salt, solvate or stereoisomer thereof, including Fulvestrant, which process comprises free radical to a compound of formula (III), or a salt, solvate or stereoisomer thereof. The invention also refers to intermediates of said process.

Small-molecule androgen receptor downregulators as an approach to treatment of advanced prostate cancer

Chemical starting points were investigated for downregulation of the androgen receptor as an approach to treatment of advanced prostate cancer. Although prototypic steroidal downregulators such as 6a designed for intramuscular administration showed insuff

Fulvestrant: From the laboratory to commercial-scale manufacture

The development of a commercial manufacturing process for fulvestrant (the active ingredient in 'Faslodex') is described. Key steps in the synthesis are stereoselective 1,6-addition of an organocuprate to a steroidal dienone followed by copper-mediated aromatisation of the A-ring. The strategy for dealing with noncrystalline intermediates is outlined. The production of drug substance of acceptable quality is critically dependent on limiting the formation of key impurities. The origin of these impurities is discussed, and measures to prevent or control their formation are described.

Process for the preparation of 7alpha-alkylated 19-norsteroids

Processes useful in the preparation of pharmaceutical compounds such as fulvestrant and processes for the preparation of fulvestrant.