54006-63-2

Basic information

• Product Name: 5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
• Synonyms: SALOR-INT L324582-1EA;5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID;5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid ,97%;1H-pyrazole-5-carboxylic acid, 3-(4-chlorophenyl)-;5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid 95+%
• CAS NO: 54006-63-2
• Molecular Formula: C₁₀H₇ClN₂O₂
• Molecular Weight: 222.63
• Mol File: 54006-63-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 515.704 °C at 760 mmHg
• Flash Point: 265.689 °C
• Appearance: /
• Density: 1.477 g/cm³
• Vapor Pressure: 1.84E-11mmHg at 25°C
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID(54006-63-2)
• EPA Substance Registry System: 5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID(54006-63-2)

Safety Data

• Statements: 20/21/22
• Safety Statements: 36/37
• Hazardous Substances Data: 54006-63-2(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)/p-1

Upstream product

• 39757-35-2 methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate 
• 79508-09-1 methyl 3‐(4‐chlorophenyl)‐1H‐pyrazole‐5‐carboxylate 
• 99-91-2 para-chloroacetophenone 
• 5814-38-0 ethyl 4-chlorobenzoylpyruvate 
• 108-90-7 chlorobenzene 
• 88330-75-0 4-(4-chlorophenyl)-2,4-dioxobutyric acid ethyl ester sodium salt 
• 938182-43-5 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester 

Downstream Products

• 1239470-62-2 (3-(4-chlorophenyl)-1H-pyrazol-5-yl)(morpholino)methanone 
• 1135147-90-8 (3-(4-chlorophenyl)-1H-pyrazol-5-yl)(piperidin-1-yl)methanone 
• 1277167-57-3 C₂₂H₂₃ClN₄O₂ 
• 1277167-59-5 C₂₀H₂₀ClN₅O 
• 1277167-58-4 C₂₀H₂₀ClN₅O 
• 1277167-60-8 C₂₀H₂₀ClN₅O 
• 1277167-61-9 C₂₁H₂₇ClN₄O 
• 1277167-73-3 C₂₂H₂₂ClN₅O₃ 
• 1277167-72-2 C₂₇H₂₄ClFN₄O₂ 
• 1024611-60-6 C₁₂H₁₂ClN₃O₂ 

Relevant articles and documents

Design, synthesis, biological evaluation and in silico studies of pyrazole‐based nh2‐acyl oseltamivir analogues as potent neuraminidase inhibitors

Oseltamivir represents one of the most successful neuraminidase (NA) inhibitors in the current anti‐influenza therapy. The 150‐cavity of NA was identified as an additional binding pocket, and novel NA inhibitors have been designed to occupy the 150‐cavity

5-Aryl-1H-pyrazole-3-carboxylic acids as selective inhibitors of human carbonic anhydrases IX and XII

Inhibitory activity of a congeneric set of 23 phenyl-substituted 5-phenyl-pyrazole-3-carboxylic acids toward human carbonic anhydrase (hCA, EC 4.2.1.1) isoforms I, II, IX and XII was evaluated by a stopped-flow CO2 hydrase assay. These compounds exerted a clear, selective inhibition of hCA IX and XII over hCAI and II, with Ki in two to one digit micromolar concentrations (4-50 μM). Derivatives bearing bulkier substituents in para-position of the phenyl ring inhibited hCA XII at one-digit micromolar concentrations, while derivatives having alkyl substituents in both ortho- and meta-positions inhibited hCA IX with Kis ranging between 5 and 25 μM. Results of docking experiments offered a rational explanation on the selectivity of these compounds toward CA IX and XII, as well as on the substitution patterns leading to best CA IX or CA XII inhibitors. By examining the active sites of these four isoforms with GRID generated molecular-interaction fields, striking differences between hCA XII and the other three isoforms were observed. The field of hydrophobic probe (DRY) appeared significantly different in CA XII active site, comparing to other three isoforms studied. To the best of our knowledge such an observation was not reported in literature so far. Considering the selectivity of these carboxylates towards membrane-associated over cytosolic CA isoforms, the title compounds could be useful for the development of isoform-specific non-sulfonamide CA inhibitors.

NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS

The present invention is directed to novel compounds of formula I and their use as therapeutic compounds.