718632-46-3

Basic information

• Product Name: Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester
• Synonyms: Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester;3-Amino-5-Boc-2-ethoxycarbonly-6,6-dimethyl-4H,6H-pyrrolo[3,4-c]pyrazole;3-amino-6,6-dimethyl- Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid 5-(1,1-dimethylethyl) 2-ethyl ester;5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
• CAS NO: 718632-46-3
• Molecular Formula: C₁₅H₂₄N₄O₄
• Molecular Weight: 324.37546
• EINECS: -0
• Mol File: 718632-46-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 451.2±55.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 1.48±0.40(Predicted)
• CAS DataBase Reference: Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester(718632-46-3)
• EPA Substance Registry System: Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester(718632-46-3)

Safety Data

• Hazardous Substances Data: 718632-46-3(Hazardous Substances Data)

Usage

General Description

Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid, 3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester is a complex chemical compound with multiple functional groups. The compound contains both pyrrolo and pyrazole rings, types of aromatic heterocyclic organic compounds for which nitrogen substitutes a carbon atom in the ring. It additionally contains two carboxylic acid groups, which are organic compounds that contain a carboxyl functional group (C(=O)OH) and can participate in several types of reactions such as hydrogen bonding and certain types of isomerism. The molecule is substituted by an amino group, (NH2), two methyl groups (CH3), an ethyl group (C2H5) and a tert-butyl group (C(CH3)3). The presence of the ester functional group suggests that it might be produced by the reaction of an alcohol and a carboxylic acid compound. Overall, this chemical structure indicates this compound may have a wide range of potential applications or activities in various fields.

Upstream product

• 398491-61-7 tert-butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate 
• 541-41-3 chloroformic acid ethyl ester 
• 106556-63-2 2--2-methylpropionic acid 
• 946497-94-5 tert-butyl 4-cyano-3-hydroxy-2,2-dimethyl-2,5-dihydro-1Hpyrrole-1-carboxylate 
• 718632-40-7 methyl 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoate 
• 718632-38-3 2-[(tert-butoxycarbonyl)(2-cyanoethyl)amino]-2-methylpropanoic acid 

Downstream Products

• 942271-66-1 6,6-dimethyl-3-[4-(4-methyl-piperazin-1-yl)-2-nitro-benzoylamino]-4H,6H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylic acid 5-tert-butyl ester 2-ethyl ester 
• 718632-51-0 5-tert-butyl 2-ethyl 3-{[(4-fluorophenyl)carbonyl]amino}-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate 
• 1041015-55-7 5-tert-butyl 2-ethyl 6,6-dimethyl-3-{[4-(trifluoromethyl)benzoyl]amino}pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate 
• 1224175-18-1 5-tert-butyl 2-ethyl 3-{[(3-fluorophenyl)carbamoyl]amino}-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-2,5-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.

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.

SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS

Compounds represented by formula (Ia) or (lb) and wherein R and R1 are as defined in the description, and pharmaceutically acceptable salts thereof, are disclosed; the said compounds are useful in the treatment of cell cycle proliferative disor