50364-40-4

Upstream product

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

Downstream Products

• 14367-06-7 methyl 2-t-butyl-3-hydroxy-3-phenylpropionate 
• 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 
• 65302-94-5 1-Acetoxy-4,4-dimethyl-3-phenylthio-2-pentanon 
• 53258-87-0 1-Chlor-4,4-dimethyl-3-phenylthio-2-pentanon 
• 65302-96-7 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 
• 65302-95-6 t-butyl(phenylthio)acetate 

Relevant academic research and scientific papers

Preparation method of 3,3-dimethyl-2-oxobutyric acid

The invention relates to a preparation method of 3,3-dimethyl-2-oxobutyric acid, and belongs to the technical field of pharmaceutical intermediate synthesis. In order to solve the problems of seriouspollution and low yield of the existing synthetic route, the invention provides a preparation method of 3,3-dimethyl-2-oxobutyric acid, and the method comprises: halogenating 3,3-dimethyl butyric acidwith a halogenating agent in an organic solvent to obtain an intermediate product; then carrying out a hydrolysis reaction to obtain a corresponding hydrolyzed product; and in the presence of TEMPO catalyst, oxidizing the hydrolyzed product under the action of an oxidant, and then carrying out acidification to obtain a product 3,3-dimethyl-2-oxobutyric acid. According to the preparation method provided by the invention, a mixed catalyst of a noble metal catalyst and a transition metal catalyst is avoided, the environmental pollution and the cost are reduced, and the effects of high yield andhigh purity can still be ensured.

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.