202823-22-1

Basic information

• Product Name: 1,3,4-Oxadiazol-2(3H)-one, 5-[4-(trifluoromethyl)phenyl]-
• CAS NO: 202823-22-1
• Molecular Formula: C9H5F3N2O2
• Molecular Weight: 230.146
• Mol File: 202823-22-1.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: 1,3,4-Oxadiazol-2(3H)-one, 5-[4-(trifluoromethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4-Oxadiazol-2(3H)-one, 5-[4-(trifluoromethyl)phenyl]-(202823-22-1)
• EPA Substance Registry System: 1,3,4-Oxadiazol-2(3H)-one, 5-[4-(trifluoromethyl)phenyl]-(202823-22-1)

Safety Data

• Hazardous Substances Data: 202823-22-1(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

This describes the specific arrangement of atoms and bonds in the molecule.

Explanation

The compound has a strong ability to inhibit the enzyme DHFR, which is crucial for DNA and RNA synthesis.

Explanation

Due to its potency as a DHFR inhibitor, the compound has potential use in creating new drugs to treat cancer and microbial infections.

Explanation

The compound's properties, including its potency as a DHFR inhibitor and its enhanced lipophilicity and bioavailability, make it a promising candidate for further research and development in the pharmaceutical industry.

Chemical structure

1,3,4-Oxadiazol-2(3H)-one, 5-[4-(trifluoromethyl)phenyl]-

Potency

Potent inhibitor of dihydrofolate reductase (DHFR)

Applications

Development of new antifolate drugs for cancer and microbial infections treatment

Trifluoromethylphenyl group

Enhanced lipophilicity and bioavailability

Pharmaceutical research and development

Promising candidate

Upstream product

• 201230-82-2 carbon monoxide 
• 339-59-3 4-(trifluoromethyl)benzoic acid hydrazide 
• 389120-03-0 5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-thiol 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 530-62-1 1,1'-carbonyldiimidazole 

Downstream Products

• 927811-65-2 3-[[2-methoxy-5-(1H-imidazol-1-yl)phenyl]methyl]-5-[4-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 202822-62-6 3-[(4-acetylamino-5-chloro-2-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 202822-84-2 3-[5-chloro-4-[(ethylmethylamino)-2-methoxyphenyl]-methyl]-1,3,4-oxadiazol-2-(3H)-one 
• 202822-83-1 3-[[2-methoxy-5-(4-morpholinylmethyl)phenyl]methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 927811-64-1 3-[[5-chloro-2-methoxy-4-(4-morpholinylmethyl)-phenyl]methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 2381044-50-2 3-[5-chloro-2-methoxy-3-(2-morpholin-4-yl-ethylamino)-benzyl]-5-(4-trifluoromethyl-phenyl)-3H-[1,3,4]oxadiazol-2-one 
• 202822-68-2 3-[(5-Chloro-2-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2(3H)-one 
• 1395920-22-5 3-(4-chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one 
• 202821-81-6 3-[(5-Chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2(3H)-one 
• 927811-43-6 3-[(4-acetylamino-5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2-(3H)-one 
• 202822-95-5 3-[(5-chloro-2-methoxyphenyl)methyl]-5-[(4-trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-(3H)-thione 
• 202822-66-0 3-[(2-methoxyphenyl)-methyl]-5-[4-(trifluoromethyl)phenyl]1,3,4-oxadiazol-2-(3H)-one 

Relevant articles and documents

A BMS - 191011 synthetic method

The invention relates to a synthetic method for a compound BMS-191011. The method comprises the following steps: taking 4-trifluoromethyl benzoyl hydrazine as a raw material and performing steps of oxidative carbonylation, methyl protection, halogenation, amination, deprotection and the like to prepare BMS-191011. The synthetic method adopts a CO balloon for replacing phosgene, so that the reaction toxicity is reduced and the reaction operability is improved. The method has the characteristics of simple and easily available raw materials, mild reaction conditions and simple operation process.

Propylene oxide assisted one-pot, tandem synthesis of substituted-1,3,4- oxadiazole-2(3H)-ones in water

It has been developed for the synthesis of substituted-1,3,4-oxadiazole- 2(3H)-one derivatives via a novel one-pot, tandem procedure assisted by propylene oxide. The 5-substitued-1,3,4-oxadiazole-2(3H)-ones and 3,5-disubstitued-1,3,4-oxadiazole-2(3H)-ones were, respectively, obtained from three-component reaction of acylhydrazines, carbon disulfide, and propylene oxide, and four-component reaction of acylhydarazines, carbon disulfide, propylene oxide, and organic halides. The reactions were carried out using water as solvent in the presence of potassium phosphate to afford the expected products in good to excellent yields.

PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE

The present invention provides novel phosphate derivatives having the general formula wherein A, R1 and R2 are as defined herein, or a nontoxic pharmaceutically acceptable salt or solvate thereof and are useful in the treatment of disorders which are resp