398491-61-7

Basic information

• Product Name: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
• Synonyms: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE;tert-butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate;Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid;butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate;4-c]pyrazole-5(1H;4H;6-diMethylpyrrolo[3;6H)-carboxylate
• CAS NO: 398491-61-7
• Molecular Formula: C₁₂H₂₀N₄O₂
• Molecular Weight: 252.31
• Product Categories: CHIRAL CHEMICALS
• Mol File: 398491-61-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 420.6 °C at 760 mmHg
• Flash Point: 208.1 °C
• Appearance: /
• Density: 1.207 g/cm³
• Vapor Pressure: 2.79E-07mmHg at 25°C
• Refractive Index: 1.567
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 16.38±0.40(Predicted)
• CAS DataBase Reference: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE(398491-61-7)
• EPA Substance Registry System: TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE(398491-61-7)

Safety Data

• Hazardous Substances Data: 398491-61-7(Hazardous Substances Data)

Usage

General Description

TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE is a chemical compound with the molecular formula C14H22N4O2. It is a carboxylate ester derivative of pyrazole and is commonly used in the pharmaceutical industry as a building block for the synthesis of various drug molecules. TERT-BUTYL 3-AMINO-6,6-DIMETHYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE has potential biological activity and can be used in the development of new medications for a variety of diseases and conditions. Its unique structure and properties make it valuable in drug discovery and development processes.

InChI:InChI=1/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)

Upstream product

• 718632-47-4 5-(tert-butyl) 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate 
• 106556-63-2 2--2-methylpropionic acid 
• 718632-38-3 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoic acid 
• 946497-94-5 tert-butyl 4-cyano-3-hydroxy-2,2-dimethyl-2,5-dihydro-1Hpyrrole-1-carboxylate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 718632-40-7 methyl 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoate 

Downstream Products

• 718632-47-4 5-(tert-butyl) 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate 

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.

3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES AS INHIBITORS OF PROTEIN KINASE C

The present invention relates to compounds and pharmaceutically acceptable salts of Formula (I): wherein X, R1, R2, R3, R4, R5, R6, R7, and R8 are as defined above. The invention further relates to pharmaceutical compositions comprising the compounds and pharmaceutically acceptable salts and to methods of treating diabetes mellitus and its complications (including in particular diabetic retinopathy, nephropathy or neuropathy), cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disease pression, viral diseases, inflammatory disorders, or diseases in which the liver is a target organ