4496-57-5 Usage
Uses
Used in Pharmaceutical Research:
3-chloro-N-[3-(trifluoromethyl)phenyl]benzamide is utilized as a building block in the synthesis of various biologically active molecules. Its incorporation into the molecular structures of potential drugs aids in the development of new therapeutic agents.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-chloro-N-[3-(trifluoromethyl)phenyl]benzamide is considered a potential drug candidate. It is explored for its potential to treat a range of diseases and conditions, leveraging its unique chemical properties to interact with biological targets.
Used in Biochemical and Pharmacological Studies:
3-chloro-N-[3-(trifluoromethyl)phenyl]benzamide's distinctive structure and properties render it a valuable tool in biochemical and pharmacological research. It can be employed to probe the mechanisms of action of various biological processes and to evaluate the efficacy and safety of new drug candidates.
Used in Chemical Synthesis Industry:
3-chloro-N-[3-(trifluoromethyl)phenyl]benzamide is used as a key intermediate in the synthesis of complex organic molecules, particularly those with potential pharmaceutical applications. Its reactivity and structural features facilitate the creation of diverse chemical entities for further research and development.
Check Digit Verification of cas no
The CAS Registry Mumber 4496-57-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,9 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4496-57:
(6*4)+(5*4)+(4*9)+(3*6)+(2*5)+(1*7)=115
115 % 10 = 5
So 4496-57-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H9ClF3NO/c15-11-5-1-3-9(7-11)13(20)19-12-6-2-4-10(8-12)14(16,17)18/h1-8H,(H,19,20)
4496-57-5Relevant academic research and scientific papers
N-Phenylbenzamide derivatives as alternative oxidase inhibitors: Synthesis, molecular properties, 1H-STD NMR, and QSAR
Barsottini, Mario R. O.,Carazzolle, Marcelo F.,Costa, Paulo C. S.,Evangelista, Joel S.,Miranda, Paulo C. M. L.,Nascimento, Andrey F. Z.,Pereira, Gon?alo A. G.,Pires, Bárbara A.,Rocco, Silvana A.,Sfor?a, Maurício L.,Silva, Jaqueline S.,Vieira, Maria L. L.,Zeri, Ana C. M.
, (2020/02/27)
In the present work, 117 N-phenylbenzamides (NPDs) were prepared and evaluated against recombinant AOX from the fungal pathogen Moniliophthora perniciosa. 1H, 13C NMR, FTIR, and mass spectra provided structural information on NPDs. The library compounds were tested as Alternative Oxidase inhibitors in two different assays using the model yeast Pichia pastoris: cell growth and oxygen consumption assays. The most active compound, 3FH, was further characterized by DRX and 1H-NMR-STD. Single crystal X-ray diffraction showed intra- and intermolecular interactions of 3FH in solid-state and elucidated its 3D structural configuration. 1H-NMR-STD allowed us to derive protein-ligand interactions in a membrane-mimetic system and evidenced an outstanding interaction of 3FH with this enzyme. Results of both biological assays were used as input to Quantitative Structure-Activity Relationship models, which highlighted the more important molecular fragments contributions for protein-ligand interaction.
