106940-10-7

Basic information

• Product Name: 3-Pyridinemethanamine 1-oxide
• Synonyms: 3-Aminomethylpyridine N-oxide;3-Pyridinemethanamine,1-oxide(9CI);3-Pyridinemethanamine 1-oxide;1-(1-Oxidopyridin-3-yl)methanamine;3-(aminomethyl)pyridine 1-oxide hydroch;3-(aminomethyl)pyridine 1-oxide
• CAS NO: 106940-10-7
• Molecular Formula: C₆H₈N₂O
• Molecular Weight: 124.14
• Product Categories: PYRIDINE
• Mol File: 106940-10-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 354.2 °C at 760 mmHg
• Flash Point: 168 °C
• Appearance: /
• Density: 1.18
• Vapor Pressure: 3.41E-05mmHg at 25°C
• Refractive Index: 1.567
• CAS DataBase Reference: 3-Pyridinemethanamine 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Pyridinemethanamine 1-oxide(106940-10-7)
• EPA Substance Registry System: 3-Pyridinemethanamine 1-oxide(106940-10-7)

Safety Data

• Hazardous Substances Data: 106940-10-7(Hazardous Substances Data)

Usage

General Description

3-Pyridinemethanamine 1-oxide, also known as Nicotinamide N-oxide, is an organic compound with the molecular formula C6H7NO2. It is the N-oxide derivative of nicotinamide, which is a form of vitamin B3. Nicotinamide N-oxide is a colorless solid that is soluble in water, ethanol, and other organic solvents. It is commonly used as a chemical intermediate in the production of pharmaceuticals and agrochemicals. Nicotinamide N-oxide has been found to have antioxidant and anti-inflammatory properties, and it is being studied for its potential medical applications. Additionally, it is used in some skin care and cosmetic products for its skin-conditioning and brightening effects.

InChI:InChI=1/C6H8N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H,4,7H2

Upstream product

• 110295-94-8 3-<amino>methyl>pyridine N-oxide 
• 3731-52-0 3-Aminomethylpyridine 
• 102297-41-6 3-<amino>methyl>pyridine 

Downstream Products

• 779353-65-0 5-chloro-3-ethyl-N-[(1-oxido-pyridinyl)methyl]pyrazolo-[1,5-a]pyrimidine-5.7(4H,6H)-dion-7-amine 

Relevant articles and documents

Catalyst-free and selective oxidation of pyridine derivatives and tertiary amines to corresponding N-oxides with 1,2-diphenyl-1,1,2,2-tetrahydroperoxyethane

The catalyst-free oxidation of various pyridine derivatives and tertiary amines to their corresponding N-oxides with 1,1,2,2-tetrahydroperoxy-1,2-diphenylethane as an efficient oxidant has been developed. The methodology proved to tolerate a number of functional groups. The reactions proceeded smoothly under solvent-free and mild conditions at room temperature. All the products were easily extracted from the reaction mixtures in excellent yields. Graphical abstract: The catalyst-free oxidation of various pyridine derivatives and tertiary amines to their corresponding N-oxides with 1,1,2,2-tetrahydroperoxy-1,2-diphenylethane as an efficient oxidant has been developed. The methodology proved to tolerate a number of functional groups. The reactions proceeded smoothly under solvent-free and mild conditions at room temperature. All the products were easily extracted from the reaction mixtures in excellent yields.

De novo design approaches targeting an envelope protein pocket to identify small molecules against dengue virus

Dengue fever is a mosquito-borne viral disease that has become a major public health concern worldwide. This disease presents with a wide range of clinical manifestations, from a mild cold-like illness to the more serious hemorrhagic dengue fever and dengue shock syndrome. Currently, neither an approved drug nor an effective vaccine for the treatment are available to fight the disease. The envelope protein (E) is a major component of the virion surface. This protein plays a key role during the viral entry process, constituting an attractive target for the development of antiviral drugs. The crystal structure of the E protein reveals the existence of a hydrophobic pocket occupied by the detergent n-octyl-β-d-glucoside (β-OG). This pocket lies at the hinge region between domains I and II and is important for the low pH-triggered conformational rearrangement required for the fusion of the virion with the host's cell. Aiming at the design of novel molecules which bind to E and act as virus entry inhibitors, we undertook a de novo design approach by “growing” molecules inside the hydrophobic site (β-OG). From more than 240000 small-molecules generated, the 2,4 pyrimidine scaffold was selected as the best candidate, from which one synthesized compound displayed micromolar activity. Molecular dynamics-based optimization was performed on this hit, and thirty derivatives were designed in silico, synthesized and evaluated on their capacity to inhibit dengue virus entry into the host cell. Four compounds were found to be potent antiviral compounds in the low-micromolar range. The assessment of drug-like physicochemical and in vitro pharmacokinetic properties revealed that compounds 3e and 3h presented acceptable solubility values and were stable in mouse plasma, simulated gastric fluid, simulated intestinal fluid, and phosphate buffered saline solution.

Pyrimidine derivatives useful as inhibitors of PKC-theta

Disclosed are novel compounds of formula (I): wherein X, Y, R1, R2 and R3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.