1148004-02-7

Basic information

• Product Name: 1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
• Synonyms: 1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;1H-Indole, 1-[(1,1-dimethylethyl)dimethylsilyl]-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborola;1-(tert-ButyldiMethylsilyl)-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;tert-butyl(5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-inden-1-yl)diMethylsilane;1-[(1,1-Dimethylethyl)dimethylsilyl]-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Indole;tert-Butyl-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethyl-silane;1H-Indole, 1-[(1,1-dimethylethyl)dimethylsilyl]-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxabor
• CAS NO: 1148004-02-7
• Molecular Formula: C20H31BFNO2Si
• Molecular Weight: 375.3605432
• Mol File: 1148004-02-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(1148004-02-7)
• EPA Substance Registry System: 1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(1148004-02-7)

Safety Data

• Hazardous Substances Data: 1148004-02-7(Hazardous Substances Data)

Usage

General Description

1H-Indole, 1-[(1,1-diMethylethyl)diMethylsilyl]-5-fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- is a complex chemical compound with a unique structure. It contains indole, a heterocyclic compound with a bicyclic structure, and a fluorine atom attached to the carbon ring. Additionally, it has a boron-containing group, which forms a boronate ester. The compound also contains tert-butyl and dimethylsilyl groups, which add to its complexity and potential of diverse chemical reactions. Overall, this compound has potential applications in organic synthesis and pharmaceutical research due to its unique structure and potential reactivity.

Upstream product

• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 1093066-71-7 1-(tert-butyldimethylsilanyl)-5-fluoro-1H-indole 
• 399-52-0 5-fluoro-1H-indole 
• 18162-48-6 tert-butyldimethylsilyl chloride 

Relevant articles and documents

Discovery of novel PI3-Kinase δ specific inhibitors for the treatment of rheumatoid arthritis: Taming CYP3A4 time-dependent inhibition

PI3Kδis a lipid kinase and a member of a larger family of enzymes, PI3K class IA(α, β, δ) and IB (γ), which catalyze the phosphorylation of PIP2 to PIP3. PI3Kδ is mainly expressed in leukocytes, where it plays a critical, nonredundant role in B cell receptor mediated signaling and provides an attractive opportunity to treat diseases where B cell activity is essential, e.g., rheumatoid arthritis. We report the discovery of novel, potent, and selective PI3Kδinhibitors and describe a structural hypothesis for isoform (α, β γ?) selectivity gained from interactions in the affinity pocket. The critical component of our initial pharmacophore for isoform selectivity was strongly associated with CYP3A4 time-dependent inhibition (TDI). We describe a variety of strategies and methods for monitoring and attenuating TDI. Ultimately, a structure-based design approach was employed to identify a suitable structural replacement for further optimization.