25877-46-7

Basic information

• Product Name: 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)
• Synonyms: 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE);4-(5-METHYL-1,3,4-OXADIAZOL-2-YL)PHENOL
• CAS NO: 25877-46-7
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17202
• Mol File: 25877-46-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 236 °C(Solv: ethanol (64-17-5))
• Boiling Point: 352.9°C at 760 mmHg
• Flash Point: 167.2°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 1.82E-05mmHg at 25°C
• Refractive Index: 1.578
• Storage Temp.: 2-8°C
• PKA: 8.17±0.15(Predicted)
• CAS DataBase Reference: 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)(25877-46-7)
• EPA Substance Registry System: 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)(25877-46-7)

Safety Data

• Hazardous Substances Data: 25877-46-7(Hazardous Substances Data)

Usage

General Description

4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol, also known as SALTDATA: FREE, is a chemical compound that contains a combination of methyl, oxadiazol, and phenol groups. The exact properties of this chemical compound such as its physical and chemical characteristics, its molecular structure, toxicity, stability, and potential applications are not widely documented in the available literature. Therefore, it is important to handle it with care until more detailed and substantial safety and handling recommendations can be provided. Based on its molecular structure, it can be inferred that it might have some utility in chemical or pharmaceutical industries, however, specific information is not clearly documented or verified.

InChI:InChI=1/C9H8N2O2/c1-6-10-11-9(13-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3

Upstream product

• 25877-54-7 methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl ether 
• 79-24-3 Nitroethane 
• 5351-23-5 4-hydroxybenzoic acid hydrazide 
• 78-39-7 Triethyl orthoacetate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 3290-99-1 4-methoxybenzoic acid hydrazide 
• 121-98-2 methyl 4-methoxybenzoate 

Downstream Products

• 179056-82-7 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde 
• 892502-28-2 4-(5-methyl-1,3,4-oxazdiazol-2-yl)benzoic acid 

Relevant articles and documents

SSAO INHIBITOR

The present invention provides an SSAO inhibitor and an application thereof in preparing a drug for treating a disease related to SSAO. In particular, the present invention provides a compound shown in formula (IV) and a pharmaceutically acceptable salt thereof.

Hit discovery of Mycobacterium tuberculosis inosine 5′-monophosphate dehydrogenase, GuaB2, inhibitors

Tuberculosis remains a global concern. There is an urgent need of newer antitubercular drugs due to the development of resistant forms of Mycobacterium tuberculosis (Mtb). Inosine 5′-monophosphate dehydrogenase (IMPDH), guaB2, of Mtb, required for guanine nucleotide biosynthesis, is an attractive target for drug development. In this study, we screened a focused library of 73 drug-like molecules with desirable calculated/predicted physicochemical properties, for growth inhibitory activity against drug-sensitive MtbH37Rv. The eight hits and mycophenolic acid, a prototype IMPDH inhibitor, were further evaluated for activity on purified Mtb-GuaB2 enzyme, target selectivity using a conditional knockdown mutant of guaB2 in Mtb, followed by cross-resistance to IMPDH inhibitor-resistant SRMV2.6 strain of Mtb, and activity on human IMPDH2 isoform. One of the hits, 13, a 5-amidophthalide derivative, has shown growth inhibitory potential and target specificity against the Mtb-GuaB2 enzyme. The hit, 13, is a promising molecule with potential for further development as an antitubercular agent.

Progress in the proxifan class: heterocyclic congeners as novel potent and selective histamine H3-receptor antagonists

Histamine H3 receptors are critically involved in the pathophysiology of several disorders of the central nervous system (CNS). Among other families of H3-receptor ligands, the proxifan class has recently been described to contain numerous potent histamine H3-receptor antagonists, e.g. ciproxifan or imoproxifan. In the present study, we report on the design of novel heterocyclic proxifan analogues and their antagonist potencies at histamine H3 receptors. The new compounds were tested for in vitro and in vivo H3-receptor antagonist potencies in different species as well as for H3-receptor selectivity vs. H1 and H2 receptors. In vitro, all compounds investigated proved to be potent H3-receptor antagonists in the rat as well as in the guinea-pig. In addition, they showed good to high oral CNS potency in vivo in mice. Especially, oxadiazole derivatives 24-26 displayed nanomolar antagonist activity in vitro and high potency in vivo (ED50=0.47-0.57 mg/kg). The results show that the additional heteroaromatic moieties might act as bioisosteres of the ketone or oxime moieties of ciproxifan or imoproxifan, respectively, and might cause divergent pharmacokinetic properties. Thus, these novel H3-receptor antagonists are interesting leads for further development. Copyright