864872-05-9

Basic information

• Product Name: 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one
• Synonyms: 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one;1-(4-broMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-ol
• CAS NO: 864872-05-9
• Molecular Formula: C₁₁H₇BrN₄O
• Molecular Weight: 291.10348
• Mol File: 864872-05-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 461.6±51.0 °C(Predicted)
• Appearance: /
• Density: 1.83±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -1.80±0.20(Predicted)
• CAS DataBase Reference: 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one(864872-05-9)
• EPA Substance Registry System: 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one(864872-05-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 864872-05-9(Hazardous Substances Data)

Usage

Description

1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is a heterocyclic organic compound with a molecular formula of C11H7BrN4O. It features a pyrazolo[3,4-d]pyrimidine core, a bromophenyl substituent at the 1-position, and a ketone group at the 4(5H)-position. 1-(4-BroMophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4(5H)-one holds promise in medicinal chemistry and drug development due to its potential biological activities and pharmacological properties.

Uses

Used in Medicinal Chemistry:
1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with specific therapeutic targets.
Used in Drug Development:
In the pharmaceutical industry, 1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one is utilized as a lead compound for the discovery and optimization of novel therapeutic agents. Its potential biological activities and pharmacological properties make it a valuable candidate for further research and development.
Used in Research:
1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one serves as a valuable tool in scientific research, particularly in the study of chemical and physical properties of heterocyclic compounds. Understanding its properties can contribute to the advancement of knowledge in various scientific and medical fields.

Upstream product

• 589-21-9 (4-bromophenyl)hydrazine 
• 64-18-6 formic acid 
• 5334-28-1 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile 
• 50427-80-0 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxamide 
• 77287-34-4 formamide 

Downstream Products

• 832715-52-3 4-chloro-1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidine 

Relevant articles and documents

Design and synthesis of pyrazolo[3,4-d]pyrimidines: Nitric oxide releasing compounds targeting hepatocellular carcinoma

A new series of pyrazolo[3,4-d]pyrimidines tethered with nitric oxide (NO) producing functionality was designed and synthesized. Sulforhodamine B (SRB) protein assay revealed that NO releasing moiety in the synthesized compounds significantly decreased the cell growth more than the des-NO analogues. Compounds 7C and 7G possessing N-para-substituted phenyl group, released the highest NO concentration of 4.6% and 4.7% respectively. Anti-proliferative activity of synthesized compounds on HepG2 cell line identified compounds 7h, 7p, 14a and 14b as the most cytotoxic compounds in the series of IC50?=?3, 5, 3 and 5?μM, respectively, compared to erlotinib as a reference drug (IC50?=?25?μM). Flow cytometry studies revealed that 7?h arrested the cells in G0/G1 phase of cell cycle while 7p arrested the cells in S phase. Moreover, docking study of the synthesized compounds on EGFR (PDB code: 1M17) and cytotoxicity study indicated that N-1 phenyl para substitution, pyrazole C-3 alkyl substitution and tethering the nitrate moiety through butyl group had a significant impact on the activity.

1,4 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS

The invention relates to 1,4-substituted pyrazolopyrimidine compounds of the formula (I), pharmaceuticals comprising a 1,4-substituted pyrazolopyrimidine compound, the use of a 1,4-substituted pyrazolopyrimidine compound in the treatment or the use thereof in the manufacture of a pharmaceutical formulation for the treatment of a disease that depends on inadequate activity of a protein kinase, methods of treatment comprising administering a 1,4-substituted pyrazolopyrimidine compound, methods for the manufacture of a novel compound of that class, and novel intermediates and partial steps for their synthesis.