803-45-2

Basic information

• Product Name: 1-Butanone,1-(4-fluorophenyl)-4-[4-(4- fluorophenyl)-4-hydroxy-1-piperidinyl]-
• CAS NO: 803-45-2
• Molecular Weight: 359.416
• Mol File: 803-45-2.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-Butanone,1-(4-fluorophenyl)-4-[4-(4- fluorophenyl)-4-hydroxy-1-piperidinyl]- (CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butanone,1-(4-fluorophenyl)-4-[4-(4- fluorophenyl)-4-hydroxy-1-piperidinyl]- (803-45-2)
• EPA Substance Registry System: 1-Butanone,1-(4-fluorophenyl)-4-[4-(4- fluorophenyl)-4-hydroxy-1-piperidinyl]- (803-45-2)

Safety Data

• Hazardous Substances Data: 803-45-2(Hazardous Substances Data)

Usage

Chemical structure

A butanone group with a 4-fluorophenyl substituent and a 1-piperidinyl group with a 4-fluorophenyl substituent.

Molecular weight

Approximately 353.4 g/mol

Appearance

Likely a solid or oily liquid, depending on the temperature

Solubility

Soluble in organic solvents such as ethanol, methanol, and acetone

Melting point

Not specified, but likely to have a melting point within a typical range for organic compounds

Boiling point

Not specified, but likely to have a boiling point within a typical range for organic compounds

Pharmacological applications

Potential use in the pharmaceutical industry due to structural similarity to certain neurotransmitters and potential binding sites in the brain

Psychoactive effects

May have psychoactive or sedative effects, but further research is needed to confirm

Receptor affinity

Suggests an affinity for specific receptors in the central nervous system, but further research is needed to fully understand its properties and potential uses

Stability

Stability information is not provided, but it is generally expected that such compounds are stable under normal conditions

Toxicity

Toxicity information is not provided, but it is important to consider potential risks and side effects when researching and using this compound

Synthesis

The synthesis method for this compound is not provided, but it likely involves the formation of the butanone group, the attachment of the 4-fluorophenyl substituents, and the formation of the 1-piperidinyl group with a 4-fluorophenyl substituent

Purity

Purity information is not provided, but it is crucial to ensure the compound's purity for accurate research and potential pharmaceutical applications

Storage

Appropriate storage conditions are not specified, but it is generally recommended to store such compounds in a cool, dry, and dark place, away from heat and moisture, and in a sealed container to prevent degradation or contamination.

Upstream product

• 3888-65-1 4-(4-fluorophenyl)piperidin-4-ol 
• 3874-54-2 4-(4-fluorophenyl)-4-oxo-n-butyl chloride 
• 462-06-6 fluorobenzene 
• 553631-05-3 tert-butyl 4-hydroxy-4-(4-fluorophenyl)-1-piperidinecarboxylate 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 

Relevant articles and documents

Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from: Mycobacterium tuberculosis to overcome kanamycin resistance

Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), is a deadly bacterial disease. Drug-resistant strains of Mtb make eradication of TB a daunting task. Overexpression of the enhanced intracellular survival (Eis) protein by Mtb confers resistance to the second-line antibiotic kanamycin (KAN). Eis is an acetyltransferase that acetylates KAN, inactivating its antimicrobial function. Development of Eis inhibitors as KAN adjuvant therapeutics is an attractive path to forestall and overcome KAN resistance. We discovered that an antipsychotic drug, haloperidol (HPD, 1), was a potent Eis inhibitor with IC50 = 0.39 ± 0.08 μM. We determined the crystal structure of the Eis-haloperidol (1) complex, which guided synthesis of 34 analogues. The structure-activity relationship study showed that in addition to haloperidol (1), eight analogues, some of which were smaller than 1, potently inhibited Eis (IC50 ≤ 1 μM). Crystal structures of Eis in complexes with three potent analogues and droperidol (DPD), an antiemetic and antipsychotic, were determined. Three compounds partially restored KAN sensitivity of a KAN-resistant Mtb strain K204 overexpressing Eis. The Eis inhibitors generally did not exhibit cytotoxicity against mammalian cells. All tested compounds were modestly metabolically stable in human liver microsomes, exhibiting 30-60% metabolism over the course of the assay. While direct repurposing of haloperidol as an anti-TB agent is unlikely due to its neurotoxicity, this study reveals potential approaches to modifying this chemical scaffold to minimize toxicity and improve metabolic stability, while preserving potent Eis inhibition. This journal is

Antifungal Compositions

Provided herein are antifungal compositions and methods of use thereof. The antifungal compositions include an antifungal agent and an antipsychotic agent or an antihistamine. The methods of use thereof include administering a composition including an antifungal agent and an antipsychotic or an antihistamine to a plant or animal in need thereof.