781663-74-9

Basic information

• Product Name: 3-BROMOMEHTYL-N,5-DIPHENYL-PYRAZOLE
• Synonyms: 3-BROMOMEHTYL-N,5-DIPHENYL-PYRAZOLE
• CAS NO: 781663-74-9
• Molecular Formula: C₁₆H₁₃BrN₂
• Molecular Weight: 0
• Mol File: 781663-74-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 435.5°C at 760 mmHg
• Flash Point: 217.2°C
• Appearance: /
• Density: 1.34g/cm³
• Vapor Pressure: 2.22E-07mmHg at 25°C
• Refractive Index: 1.633
• CAS DataBase Reference: 3-BROMOMEHTYL-N,5-DIPHENYL-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOMEHTYL-N,5-DIPHENYL-PYRAZOLE(781663-74-9)
• EPA Substance Registry System: 3-BROMOMEHTYL-N,5-DIPHENYL-PYRAZOLE(781663-74-9)

Safety Data

• Hazardous Substances Data: 781663-74-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H13BrN2/c17-12-14-11-16(13-7-3-1-4-8-13)19(18-14)15-9-5-2-6-10-15/h1-11H,12H2

Upstream product

• 98-86-2 acetophenone 
• 88330-79-4 ethyl-(Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoate 
• 17355-75-8 ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate 
• 945984-78-1 (1,5-diphenyl-1H-pyrazol-3-yl)-methanol 

Relevant articles and documents

New COX-2/5-LOX inhibitors: Apoptosis-inducing agents potentially useful in prostate cancer chemotherapy

The arachidonic acid metabolizing enzymes cyclooxygenase-2 (COX-2) and lipoxygenases (LOXs) have been found to be implicated in a variety of cancers, including prostate cancer. To develop new therapeutic treatments, it therefore seemed interesting to design dual COX-2/5-LOX inhibitors. We report here the synthesis and in vitro pharmacological properties of diarylpyrazole derivatives that have in their structure key pharmacophoric elements to obtain optimal interaction with subsites of active pockets in both enzyme systems. Using a molecular modeling approach, a set of SAR data is proposed, highlighting the importance of the sulfonyl group of one of the aryl moieties in terms of proliferation inhibition and/or apoptosis induction.