115027-06-0

Basic information

• Product Name: Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)- (9CI)
• Synonyms: Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)- (9CI)
• CAS NO: 115027-06-0
• Molecular Formula: C₁₀H₇ClFNO
• Molecular Weight: 211.6200832
• Product Categories: ACETYLHALIDE
• Mol File: 115027-06-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 382.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.420±0.06 g/cm3(Predicted)
• PKA: 14.24±0.30(Predicted)
• CAS DataBase Reference: Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)- (9CI)(115027-06-0)
• EPA Substance Registry System: Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)- (9CI)(115027-06-0)

Safety Data

• Hazardous Substances Data: 115027-06-0(Hazardous Substances Data)

Usage

Description

Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) is a chemical compound characterized by the molecular formula C10H8ClFN2O. It is an indole derivative featuring a chlorine atom and a fluoro substituent, which endows it with unique chemical and biological properties. Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) is primarily utilized in research and pharmaceutical development due to its potential for biological activity and pharmacological properties, making it a promising candidate for the synthesis of pharmaceutical drugs, agrochemicals, and other organic compounds. However, it is crucial to handle this chemical with care and in accordance with safety guidelines to mitigate its potential hazards.

Uses

Used in Pharmaceutical Development:
Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) is used as a key intermediate in the synthesis of pharmaceutical drugs for its potential biological activity and pharmacological properties. Its unique structure allows for the development of new drugs with specific therapeutic targets.
Used in Agrochemical Synthesis:
In the agrochemical industry, Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) is used as a precursor in the development of new agrochemicals, such as pesticides and herbicides, due to its potential to enhance the effectiveness and selectivity of these compounds.
Used in Organic Chemistry Research:
Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) serves as a valuable research tool in organic chemistry, enabling scientists to explore its reactivity, stability, and potential applications in the synthesis of various organic compounds.
Used in Drug Design and Discovery:
Ethanone, 2-chloro-1-(5-fluoro-1H-indol-3-yl)(9CI) is employed in drug design and discovery processes, where its unique structural features can be exploited to develop novel therapeutic agents with improved efficacy and selectivity.

Upstream product

• 399-52-0 5-fluoro-1H-indole 
• 79-37-8 oxalyl dichloride 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 245762-55-4 2-(5-fluoro-1H-indol-3-yl)ethyl chloride 
• 123310-38-3 N-Benzyl-N'-[4-(5-fluoro-1H-indol-3-yl)-thiazol-2-yl]-guanidine 

Relevant articles and documents

4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole acylamines as novel antimicrobial agents: Synthesis, in silico and in vitro evaluation

This manuscript deals with the synthesis and computational and experimental evaluation of the antimicrobial activity of twenty-nine 4-(indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole acylamines. An evaluation of antibacterial activity against Gram (+) and Gram (?) bacteria revealed that the MIC of indole derivatives is in the range of 0.06–1.88 mg/mL, while among fourteen methylindole derivatives, only six were active, with an MIC in the range of of 0.47–1.88 mg/mL. S. aureus appeared to be the most resistant strain, while S. Typhimurium was the most sensitive. Compound 5x was the most promising, with an MIC in the range of 0.06–0.12 mg/mL, followed by 5d and 5m. An evaluation of these three compounds against resistant strains, namely MRSA P. aeruginosa and E. coli, revealed that they were more potent against MRSA than ampicillin. Furthermore, compounds 5m and 5x were superior inhibitors of biofilm formation, compared to ampicillin and streptomycin, in terms Compounds 5d, 5m, and 5x interact with streptomycin in additive manner. The antifungal activity of some compounds exceeded or was equipotent to those of the reference antifungal agents bifonazole and ketoconazole. The most potent antifungal agent was found to be compound 5g. Drug likeness scores of compounds was in a range of ?0.63 to 0.29, which is moderate to good. According to docking studies, E. coli MurB inhibition is probably responsible for the antibacterial activity of compounds, whereas CYP51 inhibition was implicated in antifungal activity. Compounds appeared to be non-toxic, according to the cytotoxicity assessment in MRC-5 cells.

2-guanidino-4-arylthiazoles for treatment of peptic ulcers

2-Guanidino-4-arylthiazole compounds of the formula STR1 a pharmaceutically acceptable cationic or acid addition salt thereof wherein R1 is hydrogen, (C1 -C10)alkyl, optionally substituted phenyl or certain optionally substituted aralkyl groups; R2 is hydrogen or (C1 -C4)alkyl, and Ar is certain optionally substituted pyrrolyl or indolyl groups; method for their use in treatment of gastric ulcers, by inhibition of parietal cell H+ /K+ ATPase, and antiinflammatory conditions in combination with piroxicam, for use in mammals, and pharmaceutical compositions containing said compounds.

Antiulcer Agents. 4-Substituted 2-Guanidinothiazoles: Reversible, Competitive, and Selective Inhibitors of Gastric H+,K+-ATPase

A series of 4-substituted 2-guanidinothiazoles has been found to inhibit the gastric proton-pump enzyme H+,K+-ATPase.In general, these compounds were reversible inhibitors of canine gastric H+,K+-ATPase, competi