120121-07-5

Usage

Uses

Used in Pharmaceutical Industry:
5-Fluoro-2-mercaptobenzoic acid is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, particularly those targeting specific enzymes or receptors in the body.
Used in Chemical Synthesis:
In the field of organic chemistry, 5-fluoro-2-mercaptobenzoic acid serves as a valuable building block for the synthesis of a wide range of organic compounds. Its fluorinated and mercapto groups can be utilized in various chemical reactions, enabling the creation of diverse molecules with different properties and applications.
Used in Material Science:
The unique properties of 5-fluoro-2-mercaptobenzoic acid make it a potential candidate for the development of new materials with specific characteristics. For instance, its fluorinated nature may contribute to enhanced chemical stability or improved non-stick properties when incorporated into polymers or coatings.
Used in Analytical Chemistry:
5-Fluoro-2-mercaptobenzoic acid can be employed as a reagent or a reference compound in analytical chemistry. Its distinct chemical properties may be useful for the detection, identification, or quantification of other compounds in complex mixtures.
Used in Research and Development:
Due to its unique structure and potential applications, 5-fluoro-2-mercaptobenzoic acid is an important compound for research and development in various scientific fields. It can be used to study the effects of fluorination and mercaptan groups on the properties and reactivity of organic molecules, as well as to explore new synthetic pathways and applications.

InChI:InChI=1/C7H5FO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)

Upstream product

• 446-08-2 2-amino-5-fluorobenzoic acid 
• 64248-64-2 2,5-difluorobenzonitrile 

Downstream Products

• 160503-79-7 5-fluoro-2-(methylsulfanyl)benzaldehyde 
• 304649-75-0 (5-Fluoro-2-methylsulfanyl-phenyl)-methanol 
• 120144-45-8 5-<5-fluoro-2-(methylthio)phenyl>imidazolidine-2,4-dione 
• 120121-33-7 5-(5-Fluoro-2-methanesulfonyl-phenyl)-imidazolidine-2,4-dione 
• 1275222-61-1 2-(benzylthio)-5-fluorobenzoic acid 
• 1619971-24-2 2-(benzhydrylthio)-5-fluorobenzoic acid 

Relevant academic research and scientific papers

Novel inhibitors of the prenylated protein methyltransferase reveal distinctive structural requirements

Inhibitors of a prenylated protein methyltransferase were synthesized and evaluated. S-farnesyl-5-fluorothiosalicylic acid and the 5-chloro analog (but not the 4-fluoro, 4-chloro or 3-chloro analogs) were potent inhibitors, as was the parent compound S-farnesyl thiosalicylic acid (FTS), whose methyl ester was far less active. S-geranyl and S-geranylgeranyl thiosalicylic acids were more than ten times less potent than FTS.

Rational design of triplet sensitizers for the transfer of excited state photochemistry from UV to visible

Time Dependent Density Functional Theory has been used to assist the design and synthesis of a series thioxanthone triplet sensitizers. Calculated energies of the triplet excited state (ET) informed both the type and position of auxochromes placed on the thioxanthone core, enabling fine-tuning of the UV-vis absorptions and associated triplet energies. The calculated results were highly consistent with experimental observation in both the order of the λmax and ET values. The synthesized compounds were then evaluated for their efficacies as triplet sensitizers in a variety of UV and visible light preparative photochemical reactions. The results of this study exceeded expectations; in particular [2 + 2] cycloaddition chemistry that had previously been sensitized in the UV was found to undergo cycloaddition at 455 nm (blue) with a 2- to 9-fold increase in productivity (g/h) relative to input power. This study demonstrates the ability of powerful modern computational methods to aid in the design of successful and productive triplet sensitized photochemical reactions.

Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives

Since pyrithiobac (PTB) is a successful commercial herbicide with very low toxicity against mammals, it is worth exploring its derivatives for an extensive study. Herein, a total of 35 novel compounds were chemically synthesized and single crystal of 6–6

Discovery of Ziresovir as a Potent, Selective, and Orally Bioavailable Respiratory Syncytial Virus Fusion Protein Inhibitor

Ziresovir (RO-0529, AK0529) is reported here for the first time as a promising respiratory syncytial virus (RSV) fusion (F) protein inhibitor that currently is in phase 2 clinical trials. This article describes the process of RO-0529 as a potent, selective, and orally bioavailable RSV F protein inhibitor and highlights the in vitro and in vivo anti-RSV activities and pharmacokinetics in animal species. RO-0529 demonstrates single-digit nM EC50 potency against laboratory strains, as well as clinical isolates of RSV in cellular assays, and more than one log viral load reduction in BALB/c mouse model of RSV viral infection. RO-0529 was proven to be a specific RSV F protein inhibitor by identification of drug resistant mutations of D486N, D489V, and D489Y in RSV F protein and the inhibition of RSV F protein-induced cell-cell fusion in cellular assays.

Scaffold Diversity Inspired by the Natural Product Evodiamine: Discovery of Highly Potent and Multitargeting Antitumor Agents

A critical question in natural product-based drug discovery is how to translate the product into drug-like molecules with optimal pharmacological properties. The generation of natural product-inspired scaffold diversity is an effective but challenging strategy to investigate the broader chemical space and identify promising drug leads. Extending our efforts to the natural product evodiamine, a diverse library containing 11 evodiamine-inspired novel scaffolds and their derivatives were designed and synthesized. Most of them showed good to excellent antitumor activity against various human cancer cell lines. In particular, 3-chloro-10-hydroxyl thio-evodiamine (66c) showed excellent in vitro and in vivo antitumor efficacy with good tolerability and low toxicity. Antitumor mechanism and target profiling studies indicate that compound 66c is the first-in-class triple topoisomerase I/topoisomerase II/tubulin inhibitor. Overall, this study provided an effective strategy for natural product-based drug discovery. (Figure Presented).