1853279-29-4

Basic information

• Product Name: ((7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid
• CAS NO: 1853279-29-4
• Molecular Weight: 634.6
• Mol File: 1853279-29-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: ((7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: ((7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid(1853279-29-4)
• EPA Substance Registry System: ((7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid(1853279-29-4)

Safety Data

• Hazardous Substances Data: 1853279-29-4(Hazardous Substances Data)

Usage

General Description

The chemical (7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid is a boronic acid derivative. It has a complex molecular structure, containing a cyclopenta[a]phenanthrene core with hydroxyl, methyl, and sulfinyl (sulfur-containing) groups, as well as a boronic acid functional group. This chemical compound may have potential applications in organic synthesis, medicinal chemistry, and as a chemical reagent in various reactions. The presence of the boronic acid group also suggests that it may be used in Suzuki coupling reactions and other organic transformations.

Upstream product

• 875573-69-6 17-O-acetyl-S-deoxo-fulvestrant 
• 7732-18-5 water 
• 1310-65-2 lithium hydroxide 

Relevant articles and documents

Fulvestrant-3 Boronic Acid (ZB716): An Orally Bioavailable Selective Estrogen Receptor Downregulator (SERD)

Orally bioavailable SERDs may offer greater systemic drug exposure, improved clinical efficacy, and more durable treatment outcome for patients with ER-positive endocrine-resistant breast cancer. We report the design and synthesis of a boronic acid modified fulvestrant (5, ZB716), which binds to ERα competitively (IC50 = 4.1 nM) and effectively downregulates ERα in both tamoxifen-sensitive and tamoxifen-resistant breast cancer cells. Furthermore, It has superior oral bioavailability (AUC = 2547.1 ng·h/mL) in mice, indicating its promising clinical utility as an oral SERD.

SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATORS (SERDS)

The present disclosure relates to orally bioavailable selective estrogen receptor down-regulators (SERDs) and the synthesis of the same. Further, the present disclosure teaches the utilization of the orally bioavailable selective estrogen receptor down-regulators (SERDs) in a treatment for proliferative diseases, including cancer, particularly breast cancer, and especially ER+ breast cancer.