946497-94-5

Basic information

• Product Name: tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
• Synonyms: 4-Cyano-2,2-dimethyl-3-oxo-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester;1-Pyrrolidinecarboxylic acid, 4-cyano-2,2-dimethyl-3-oxo-, 1,1-dimethylethyl ester
• CAS NO: 946497-94-5
• Molecular Formula: C₁₂H₁₈N₂O₃
• Molecular Weight: 238.28292
• EINECS: -0
• Mol File: 946497-94-5.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate(946497-94-5)
• EPA Substance Registry System: tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate(946497-94-5)

Safety Data

• Hazardous Substances Data: 946497-94-5(Hazardous Substances Data)

Usage

General Description

Tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate is a chemical compound with the molecular formula C11H18N2O3. It is a derivative of pyrrolidine, a heterocyclic organic compound, and contains a tert-butyl and cyano group attached to the pyrrolidine ring. tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate is commonly used in organic synthesis as a building block for the preparation of pharmaceuticals and other fine chemicals. It is also used as a reagent in the synthesis of various compounds due to its stable and reactive nature. Additionally, it can be used as a starting material for the production of agrochemicals and other specialty chemicals.

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 articles and documents

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.

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.

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.