1174130-61-0

Basic information

• Product Name: (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
• Synonyms: (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
• CAS NO: 1174130-61-0
• Molecular Formula: C₂₆H₂₇FN₂O₂
• Molecular Weight: 418.5031832
• Mol File: 1174130-61-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 519.2±50.0 °C(Predicted)
• Appearance: /
• Density: 1.201±0.06 g/cm3(Predicted)
• PKA: 15.61±0.50(Predicted)
• CAS DataBase Reference: (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide(1174130-61-0)
• EPA Substance Registry System: (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide(1174130-61-0)

Safety Data

• Hazardous Substances Data: 1174130-61-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide is used as a potential therapeutic agent for the treatment of neurological diseases and disorders. Its unique molecular structure allows it to interact with specific receptors or targets in the nervous system, potentially modulating their activity and providing relief from symptoms associated with these conditions.
Used in Chemical Research:
In the field of chemical research, (S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide can be used as a starting material or a building block for the synthesis of more complex molecules with specific biological activities. Its chiral nature and diverse functional groups make it an interesting candidate for further exploration and development in the realm of medicinal chemistry.
Used in Drug Delivery Systems:
Similar to the application of gallotannin in drug delivery systems, (S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide could be employed in the development of novel drug delivery systems. These systems could be designed to improve the bioavailability, targeting, and overall efficacy of the compound, particularly in the context of neurological disorders.

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 64248-62-0 3,4-Difluorobenzonitrile 
• 676494-56-7 3-fluoro-4-(4-formylphenoxy)benzamide 
• 1213334-10-1 (2S)-2-(3,5-dimethylphenyl)pyrrolidine 
• 676494-55-6 3-fluoro-4-(4-formylphenoxy)benzonitrile 
• 1174130-60-9 4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide 

Relevant articles and documents

Discovery of aminobenzyloxyarylamides as κ opioid receptor selective antagonists: Application to preclinical development of a κ opioid receptor antagonist receptor occupancy tracer

Arylphenylpyrrolidinylmethylphenoxybenzamides were found to have high affinity and selectivity for κ opioid receptors. On the basis of receptor binding assays in Chinese hamster ovary (CHO) cells expressing cloned human opioid receptors, (S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl) phenoxy)benzamide (25) had a Ki = 0.565 nM for κ opioid receptor binding while having a Ki = 35.8 nM for μ opioid receptors and a Ki = 211 nM for δ opioid receptor binding. Compound 25 was also a potent antagonist of κ opioid receptors when tested in vitro using a [35S]-guanosine 5′O-[3-thiotriphosphate] ([35S]GTP-γ-S) functional assay in CHO cells expressing cloned human opioid receptors. Compounds were also evaluated for potential use as receptor occupancy tracers. Tracer evaluation was done in vivo, using liquid chromatography-tandem mass spectrometry (LC/MS/MS) methods, precluding the need for radiolabeling. (S)-3-Chloro-4-(4-((2-(pyridine-3-yl)pyrrolidin-1-yl)methyl) phenoxy)benzamide (18) was found to have favorable properties for a tracer for receptor occupancy, including good specific versus nonspecific binding and good brain uptake.

KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST

A selective kappa opioid receptor antagonist useful for treating ethanol use disorder withdrawal and anxiety, and/or depression, or schizophrenia as independent comorbid conditions.