880361-90-0

Basic information

• Product Name: METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE
• Synonyms: METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE;CHEMBRDG-BB 4100686;CBI-BB ZERO/004816;ASINEX-REAG BAS 10155091;N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine(SALTDATA: HCl);N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine 1HCl;1,3,4-Oxadiazole-2-methanamine, N-methyl-5-phenyl-;N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
• CAS NO: 880361-90-0
• Molecular Formula: C₁₀H₁₁N₃O
• Molecular Weight: 189.21
• Mol File: 880361-90-0.mol

Chemical Properties

• Boiling Point: 318.2°C at 760 mmHg
• Flash Point: 146.3°C
• Appearance: /
• Density: 1.142g/cm³
• Vapor Pressure: 0.000366mmHg at 25°C
• Refractive Index: 1.546
• CAS DataBase Reference: METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE(880361-90-0)
• EPA Substance Registry System: METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE(880361-90-0)

Safety Data

• Hazardous Substances Data: 880361-90-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE is used as a potential anti-inflammatory agent for its ability to reduce inflammation and alleviate pain. Its anti-inflammatory properties make it a valuable component in the development of new drugs for treating various inflammatory conditions.
METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE is also used as an antimicrobial agent for its potential to inhibit the growth of harmful microorganisms. This property can be utilized in the development of new antibiotics and antifungal agents to combat drug-resistant infections.
Furthermore, METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE is used as an antitumor agent for its potential to inhibit the growth and proliferation of cancer cells. Its antitumor properties make it a promising candidate for the development of new cancer therapies.
Used in Agricultural Industry:
In the agricultural industry, METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE is used as a potential agrochemical product for its potential to control pests and diseases in crops. Its antimicrobial and antitumor properties can be harnessed to develop new pesticides and fungicides to protect crops from various threats.
METHYL-(5-PHENYL-[1,3,4]OXADIAZOL-2-YLMETHYL)-AMINE may also have potential applications in the development of new herbicides to control unwanted plant growth in agricultural fields. Its ability to inhibit the growth of certain plant species can be utilized to create more effective and targeted herbicides.

InChI:InChI=1/C10H11N3O/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3

Relevant articles and documents

Benzothiazinone derivative with 6-position substituted with trifluoromethyl as well as preparation method and application thereof

The invention discloses a benzothiazinone derivative with the 6-position substituted with trifluoromethyl as well as a preparation method and application of the benzothiazinone derivative. According to the invention, benzene ring of a benzothiazinone framework is creatively changed, particularly a substituent group is creatively changed, a series of compounds are obtained, and unexpected technical effects are achieved; and specifically, compared with other benzothiazinone derivatives, the benzothiazinone derivative with the 6-position substituted with trifluoromethyl is more stable to liver microsomal enzyme, the metabolic half-life period T1/2 is longer, and the water solubility is better.

Structural and Activity Relationships of 6-Sulfonyl-8-Nitrobenzothiazinones as Antitubercular Agents

The benzothiazinone (BTZ) scaffold compound PBTZ169 kills Mycobacterium tuberculosis by inhibiting the essential flavoenzyme DprE1, consequently blocking the synthesis of the cell wall component arabinans. While extraordinarily potent against M. tuberculosis with a minimum inhibitory concentration (MIC) less than 0.2 ng/mL, its low aqueous solubility and bioavailability issues need to be addressed. Here, we designed and synthesized a series of 6-methanesulfonyl substituted BTZ analogues; further exploration introduced five-member aromatic heterocycles as linkers to attach an aryl group as the side chain. Our work led to the discovery of a number of BTZ derived compounds with potent antitubercular activity. The optimized compounds 6 and 38 exhibited MIC 47 and 30 nM, respectively. Compared to PBTZ169, both compounds displayed increased aqueous solubility and higher stability in human liver microsomes. This study suggested that an alternative side-chain modification strategy could be implemented to improve the druglike properties of the BTZ-based compounds.