946497-94-5

Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate is used as a building block for the preparation of pharmaceuticals. Its unique structure and reactivity allow for the synthesis of various drug molecules, contributing to the development of new medications.
Used in Fine Chemicals Industry:
In the fine chemicals industry, tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate serves as a key intermediate for the synthesis of specialty chemicals. Its presence in the molecular structure can impart specific properties to the final products, enhancing their performance and applications.
Used as a Synthesis Reagent:
Tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate is utilized as a reagent in the synthesis of various compounds. Its stable and reactive nature facilitates the formation of desired products, making it a valuable component in chemical reactions.
Used in Agrochemical Production:
tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate also serves as a starting material for the production of agrochemicals. Its incorporation into the molecular structure of agrochemicals can enhance their effectiveness in pest control and crop protection, contributing to sustainable agriculture practices.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 106556-63-2 2--2-methylpropionic acid 
• 718632-38-3 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoic acid 
• 718632-40-7 methyl 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoate 

Downstream Products

• 718632-46-3 5-(tert-butyl) 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate 
• 1041015-44-4 5-(tert-butyl) 2-ethyl 3-benzamido-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate 
• 1041260-88-1 ethyl 3-benzamido-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]-pyrazole-2(4H)-carboxylate 
• 718632-47-4 5-(tert-butyl) 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate 
• 1041015-48-8 ethyl 3-benzamido-5-(chlorocarbonyl)-6,6-dimethyl-5,6-dihydropyrrolo[3,4-c]pyrazole-2(4H)-carboxylate 
• 1041014-89-4 (S)-3-benzamido-N-(2-(dimethylamino)-1-phenylethyl)-N,6,6-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide 
• 1375799-68-0 N-(6,6-dimethyl-5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzamide 
• 1041012-25-2 (S)-2-(dimethylamino)-1-phenylethyl 3-benzamido-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate 

Relevant academic research and scientific papers

Design, synthesis, biological evaluation and pharmacophore model analysis of novel tetrahydropyrrolo[3,4-c]pyrazol derivatives as potential TRKs inhibitors

The tropomyosin receptor kinases TRKs are responsible for different tumor types which caused by NTRK gene fusion, and have been identified as a successful target for anticancer therapeutics. Herein, we report a potent and selectivity TRKs inhibitor 19m through rational drug design strategy from a micromolar potency hit 17a. Compound 19m significantly inhibits the proliferation of TRK-dependent cell lines (Km-12), while it has no inhibitory effect on TRK-independent cell lines (A549 and THLE-2). Furthermore, kinases selectivity profiling showed that in addition to TRKs, compound 19m only displayed relatively strong inhibitory activity on ALK. These data may indicate that compound 19m has a good drug safety. Partial ADME properties were evaluated in vitro and in vivo. Compound 19m exhibited a good AUC values and volume of distribution and low clearance in the pharmacokinetics experiment of rats. Finally, a pharmacophore model guided by experimental results is proposed. We hope this theoretical model can help researchers find type I TRK inhibitors more efficiently.

2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships

Starting from 4-amino-8-quinoline carboxamide lead 1a and scaffold hopping to the chemically more tractable quinazoline, a systematic exploration of the 2-substituents of the quinazoline ring, utilizing structure activity relationships and conformational constraint, resulted in the identification of 39 novel CD38 inhibitors. Eight of these analogs were 10–100-fold more potent human CD38 inhibitors, including the single digit nanomolar inhibitor 1am. Several of these molecules also exhibited improved therapeutic indices relative to hERG activity. A representative analog 1r exhibited suitable pharmacokinetic parameters for in vivo animal studies, including moderate clearance and good oral bioavailability. These inhibitor compounds will aid in the exploration of the enzymatic functions of CD38, as well as furthering the study of the therapeutic implications of NAD enhancement in metabolic disease models.

TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS

The present invention provides compounds of Formula (I) as M1 receptor positive allosteric modulators for the treatment of diseases mediated by the muscarinic M1 mediator.

Discovery of pyrroloaminopyrazoles as novel PAK inhibitors

The P21-activated kinases (PAK) are emerging antitumor therapeutic targets. In this paper, we describe the discovery of potent PAK inhibitors guided by structure-based drug design. In addition, the efflux of the pyrrolopyrazole series was effectively reduced by applying multiple medicinal chemistry strategies, leading to a series of PAK inhibitors that are orally active in inhibiting tumor growth in vivo.

Identification of novel pyrrolopyrazoles as protein kinase C β II inhibitors

A novel series of pyrrolopyrazole-based protein kinase C β II inhibitors has been identified from high-throughput screening. Herein, we report our initial structure-activity relationship studies with a focus on optimizing compound ligand efficiency and physicochemical properties, which has led to potent inhibitors with good cell permeability.