50364-40-4

Basic information

• Product Name: 2-bromo-3,3-dimethylbutanoic acid
• CAS NO: 50364-40-4
• Molecular Formula: C₆H₁₁BrO₂
• Molecular Weight: 195.0543
• Mol File: 50364-40-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 232.7°C at 760 mmHg
• Flash Point: 94.6°C
• Density: 1.436g/cm³
• Vapor Pressure: 0.0203mmHg at 25°C
• Refractive Index: 1.487
• CAS DataBase Reference: 2-bromo-3,3-dimethylbutanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromo-3,3-dimethylbutanoic acid(50364-40-4)
• EPA Substance Registry System: 2-bromo-3,3-dimethylbutanoic acid(50364-40-4)

Safety Data

• Hazardous Substances Data: 50364-40-4(Hazardous Substances Data)

Upstream product

• 590-50-1 4,4-dimethyl-pentan-2-one 
• 33105-81-6 2-amino-3,3-dimethylbutanoic acid 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 76906-37-1 bromo-2 dimethyl-3,3 morpholino-1 butene-1 
• 1070-83-3 tert-Butylacetic acid 

Downstream Products

• 33509-43-2 4-amino-3-mercapto-6-tert-butyl-1,2,4-triazin-5-one 
• 29336-30-9 2-bromo-3,3-dimethylbutanoyl chloride 
• 154026-92-3 Tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate 
• 14367-06-7 methyl 2-t-butyl-3-hydroxy-3-phenylpropionate 
• 65302-94-5 1-Acetoxy-4,4-dimethyl-3-phenylthio-2-pentanon 
• 53258-87-0 1-Chlor-4,4-dimethyl-3-phenylthio-2-pentanon 
• 65302-95-6 t-butyl(phenylthio)acetate 
• 65302-96-7 3,3-Dimethyl-2-phenylthiobutanoylchlorid 
• 754-10-9 2,2-dimethylpropionamide 
• 53492-75-4 4-tert-butyl-3-[2-(4-tert-butyl-phenylsulfanyl)-ethyl]-sydnone 
• 4026-20-4 2-hydroxy-3,3-dimethylbutanoic acid 

Relevant articles and documents

Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer

The bromodomain and extra-terminal proteins (BET) have emerged as promising therapeutic targets for the treatment of castration-resistant prostate cancer (CRPC). We report the design, synthesis and evaluation of a new series of benzoxazinone-containing 3,5-dimethylisoxazole derivatives as selective BET inhibitors. One of the new compounds, (R)-12 (Y02234), binds to BRD4(1) with a Kd value of 110 nM and blocks bromodomain and acetyl lysine interactions with an IC50 value of 100 nM. It also exhibits selectivity for BET over non-BET bromodomain proteins and demonstrates reasonable anti-proliferation and colony formation inhibition effect in prostate cancer cell lines such as 22Rv1 and C4-2B. The BRD4 inhibitor (R)-12 also significantly suppresses the expression of ERG, Myc and AR target gene PSA at the mRNA level in prostate cancer cells. Treatment with (R)-12 significantly suppresses the tumor growth of prostate cancer (TGI = 70%) in a 22Rv1-derived xenograft model. These data suggest that compound (R)-12 is a promising lead compound for the development of a new class of therapeutics for the treatment of CRPC.

Derecemization par protonation enantioselective. Application aux composes carbonyles α-asymetriques

Derecemization by enantioselective protonation, a new method for the optical enrichment of a racemic mixture, is described and compared to classical methods.This work describes the deracemization of α-asymmetric carbonyl compounds.They are converted into their enamines, which after protonation by a chiral acid and hydrolysis lead to optically active carbonyl compounds.A mechanism responsible for the optical activation is suggested by means of a study of the reaction conditions and parameters modifying the selectivity.A rule for the determination of the absolute configuration of carbonyl compounds is proposed in view of the results.