718632-47-4

Basic information

• Product Name: 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
• Synonyms: 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate;Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid, 3-aMino-4,6-dihydro-6,6-diMethyl-, 5-(1,1-diMethylethyl) 1-ethyl ester;3-Amino-4,6-dihydro-6,6-dimethyl-pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-(1,1-dimethylethyl) 1-ethyl ester;5-O-TERT-BUTYL 1-O-ETHYL 3-AMINO-6,6-DIMETHYL-4H-PYRROLO[3,4-C]PYRAZOLE-1,5-DICARBOXYLATE;5-(tert-butyl) 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
• CAS NO: 718632-47-4
• Molecular Formula: C₁₅H₂₄N₄O₄
• Molecular Weight: 324
• EINECS: -0
• Mol File: 718632-47-4.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate(718632-47-4)
• EPA Substance Registry System: 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate(718632-47-4)

Safety Data

• Hazardous Substances Data: 718632-47-4(Hazardous Substances Data)

Usage

General Description

The chemical compound "5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate" is a complex heterocyclic structure that contains tert-butyl, ethyl, amino, and dimethyl groups. It is a pyrrolopyrazole derivative with carboxylate functional groups. 5-tert-butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate has potential applications in pharmaceuticals, agrochemicals, and materials science due to its unique structural features and potential reactivity. The specific properties and potential uses of this compound would need to be further studied and researched.

Upstream product

• 541-41-3 chloroformic acid ethyl ester 
• 398491-61-7 tert-butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate 
• 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 

Relevant articles and documents

Development of a Selective CDK7 Covalent Inhibitor Reveals Predominant Cell-Cycle Phenotype

Cyclin-dependent kinase 7 (CDK7) regulates both cell cycle and transcription, but its precise role remains elusive. We previously described THZ1, a CDK7 inhibitor, which dramatically inhibits superenhancer-associated gene expression. However, potent CDK12/13 off-target activity obscured CDK7s contribution to this phenotype. Here, we describe the discovery of a highly selective covalent CDK7 inhibitor. YKL-5-124 causes arrest at the G1/S transition and inhibition of E2F-driven gene expression; these effects are rescued by a CDK7 mutant unable to covalently engage YKL-5-124, demonstrating on-target specificity. Unlike THZ1, treatment with YKL-5-124 resulted in no change to RNA polymerase II C-terminal domain phosphorylation; however, inhibition could be reconstituted by combining YKL-5-124 and THZ531, a selective CDK12/13 inhibitor, revealing potential redundancies in CDK control of gene transcription. These findings highlight the importance of CDK7/12/13 polypharmacology for anti-cancer activity of THZ1 and posit that selective inhibition of CDK7 may be useful for treatment of cancers marked by E2F misregulation. Olson et al. describe the development and characterization of YKL-5-124, a potent, selective, and covalent CDK7 inhibitor. YKL-5-124 displays biochemical and cellular selectivity for CDK7 over CDK12/13, structurally related kinases. CDK7 inhibition by YKL-5-124 induces a strong cell-cycle arrest and a surprisingly weak effect on RNA Pol II phosphorylation.

DEGRADERS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) AND USES THEREOF

Disclosed are bispecific compounds (degraders) that target CDK7 for degradation. Also disclosed are pharmaceutical compositions containing the degraders and methods of using the compounds to treat disease.

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.