142818-03-9

Basic information

• Product Name: 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID
• Synonyms: 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID;1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID;TIMTEC-BB SBB001236;1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid 97%;1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylicacid97%;1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-;BUTTPARK 33\06-15
• CAS NO: 142818-03-9
• Molecular Formula: C₁₁H₆F₃N₃O₄
• Molecular Weight: 301.18
• EINECS: 238-178-9
• Product Categories: Carboxylic Acids;Pyrazoles & Triazoles;Carboxylic Acids;Pyrazoles & Triazoles;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 142818-03-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 199-203 °C
• Boiling Point: 452.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.65±0.1 g/cm3(Predicted)
• PKA: 2.61±0.36(Predicted)
• CAS DataBase Reference: 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID(142818-03-9)
• EPA Substance Registry System: 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID(142818-03-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 142818-03-9(Hazardous Substances Data)

Usage

General Description

1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is a chemical compound with a molecular formula of C12H7F3N4O4. 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID is an organic molecule which is made up of a pyrazole ring core functionalized with a trifluoromethyl group and a carboxylic acid group at different positions, and a nitrophenyl ring at another. Its usage, reactivity, safety hazards, and environmental effects are all factors that would need more specific research to discuss due to its highly specific structure, as many compounds with similar structures are used in manufacturing of pharmaceuticals and pesticides.

InChI:InChI:1S/C11H6F3N3O4/c12-11(13,14)9-8(10(18)19)5-15-16(9)6-1-3-7(4-2-6)17(20)21/h1-5H,(H,18,19)

Upstream product

• 636-99-7 4-nitrophenylhydrazine hydrochloride 
• 571-55-1 ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
• 175137-35-6 ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 100-16-3 4-nitrophenylhydrazone 
• 142809-85-6 4-trifluoroacetyl-5-trifluoromethyl-1-(p-nitrophenyl)pyrazole 

Relevant articles and documents

Discovery of a Highly Selective and Potent TRPC3 Inhibitor with High Metabolic Stability and Low Toxicity

The overactivation of transient receptor potential canonical 3 (TRPC3) is associated with neurodegenerative diseases and hypertension. Pyrazole 3 (Pyr3) is reported as the most selective TRPC3 inhibitor, but it has two inherent structural limitations: (1) the labile ester moiety leads to its rapid hydrolysis to the inactive Pyr8 in vivo, and (2) the alkylating trichloroacrylic amide moiety is known to be toxic. To circumvent these limitations, we designed a series of conformationally restricted Pyr3 analogues and reported that compound 20 maintains high potency and selectivity for human TRPC3 over its closely related TRP channels. It has significantly improved metabolic stability compared with Pyr3 and has a good safety profile. Preliminary evaluation of 20 demonstrated its ability to rescue Aβ-induced neuron damage with similar potency to that of Pyr3 in vitro. Collectively, these results suggest that 20 represents a promising scaffold to potentially ameliorate the symptoms associated with TRPC3-mediated neurological and cardiovascular disorders.