1158098-73-7

Basic information

• Product Name: 2-Methyl-N-(oxetan-3-ylid...
• Synonyms: 2-Methyl-N-(oxetan-3-ylid...;2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide;2-Methyl-N-(3-oxetanylidene)-2-propanesulfinaMide;3-[(tert-Butylsulfinyl)imino]oxetan;2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinaMide 2-Methylpropane-2-sulfinic acid oxetan-3-ylideneaMide;2-Methyl-N-(3-oxetanylidene)propane-2-sulfinaMide, 95%;2-PropanesulfinaMide, 2-Methyl-N-3-oxetanylidene-;2-Methyl-n-(oxetan-3-yl)propane-2-sulfinaMide
• CAS NO: 1158098-73-7
• Molecular Formula: C₇H₁₃NO₂S
• Molecular Weight: 175.24862
• Mol File: 1158098-73-7.mol

Chemical Properties

• Boiling Point: 302.8±52.0 °C(Predicted)
• Appearance: /
• Density: 1.25
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -0.50±0.20(Predicted)
• Water Solubility: Soluble in water. (1.00E+06 mg/L).
• CAS DataBase Reference: 2-Methyl-N-(oxetan-3-ylid...(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-N-(oxetan-3-ylid...(1158098-73-7)
• EPA Substance Registry System: 2-Methyl-N-(oxetan-3-ylid...(1158098-73-7)

Safety Data

• Hazard Codes: F,C
• Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA: No
• Hazardous Substances Data: 1158098-73-7(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-Methyl-N-(oxetan-3-ylid... is used as a key intermediate for the synthesis of various organic compounds. Its unique structure enables it to participate in a wide range of chemical reactions, making it a valuable asset in the field of organic chemistry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Methyl-N-(oxetan-3-ylid... is used as a building block for the development of new drugs. Its versatility in chemical reactions allows for the creation of diverse drug candidates with potential therapeutic applications.
Used in Agrochemicals:
2-Methyl-N-(oxetan-3-ylid... is also utilized in the agrochemical industry as a starting material for the synthesis of various agrochemical products. Its role in this industry is crucial for the development of new pesticides, herbicides, and other agricultural chemicals.
Used in Dyestuffs:
In the dyestuffs industry, 2-Methyl-N-(oxetan-3-ylid... is employed as a raw material for the production of different types of dyes. Its chemical properties make it suitable for the synthesis of a wide range of colorants used in various applications, such as textiles, plastics, and printing inks.

InChI:InChI=1S/C7H13NO2S/c1-7(2,3)11(9)8-6-4-10-5-6/h4-5H2,1-3H3

Upstream product

• 6704-31-0 oxetan-3-one 
• 146374-27-8 S-tert-butylsulfinimide 
• 922500-97-8 3,3-dimethoxyoxetane 
• 130439-58-6 2-methylpropane-2-sulfenamide 

Downstream Products

• 1158098-76-0 2-methyl-propane-2-sulfinic acid [3-(4-cyano-phenyl)-oxetan-3-yl]-amide 
• 1211284-01-3 C₁₃H₁₈FNO₂S 
• 1211284-00-2 C₁₃H₁₈ClNO₂S 
• 1211283-99-6 2-methyl-N-(3-phenyloxetan-3-yl)propane-2-sulfinamide 
• 1211284-10-4 C₁₄H₂₁NO₃S 
• 1211284-09-1 C₁₄H₂₁NO₃S 
• 1211284-02-4 C₁₃H₁₈FNO₂S 
• 1211284-06-8 C₁₄H₂₁NO₃S 
• 1211284-17-1 C₁₅H₂₁NO₂S 
• 1211284-25-1 C₈H₁₅NO₂S 
• 1211284-14-8 C₁₅H₁₉NO₂S 
• 1211284-05-7 C₁₃H₁₈FNO₂S 
• 1313872-41-1 C₁₃H₁₉NO₃S 
• 1313872-43-3 C₁₄H₂₁NO₄S₂ 

Relevant articles and documents

An efficient synthesis of structurally diverse 2-methyl-N-[(3-phenylamino)oxetan-3-yl]-2-propanesulfinamide derivatives under catalyst free conditions

A convenient and straightforward synthesis of structurally diverse 2-methyl-N-[(3-phenylamino)oxetan-3-yl]-2-propanesulfinamide derivatives from 3-oxetan-3-tert-butylsulfinimine and substituted aromatic amines in methanol at 60 °C temperature is described. The corresponding diaminooxetane derivatives are obtained in good to excellent yield under optimized reaction conditions. The method presented herein was found to be advantageous for diaminooxetane derivatives as emerging building block for future drug discovery. The title diaminooxetanes should be considered as bioisosteric to isopropylidenediamines and urea derivatives rather than to gem-dimethyl and carbonyl groups, respectively. Graphical abstract: [Figure not available: see fulltext.]

Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1

A diaryl ketone series was identified as vanin-1 inhibitors from a high-throughput screening campaign. While this novel scaffold provided valuable probe 2 that was used to build target confidence, concerns over the ketone moiety led to the replacement of this group. The successful replacement of this moiety was achieved with pyrimidine carboxamides derived from cyclic secondary amines that were extensively characterized using biophysical and crystallographic methods as competitive inhibitors of vanin-1. Through optimization of potency and physicochemical and ADME properties, and guided by co-crystal structures with vanin-1, 3 was identified with a suitable profile for advancement into preclinical development.

Five-membered heteroaromatic derivative, preparation method and application thereof

The invention belongs to the technical field of medicines, and particularly relates to a five-membered heteroaromatic compound, a composition, a preparation method and application thereof. The compound or the composition can be used as an inhibitor of a retinoid-related orphan receptor [gamma]t (ROR [gamma]t). The invention also relates to a method for preparing the compound and the composition, and application of the compound and the composition in treatment or prevention of ROR [gamma]t-mediated cancers, inflammations or autoimmune diseases of mammals, especially human beings.

Aryl alkylamine compound, preparation method thereof and application of aryl alkylamine compound in medicines

The invention relates to an aryl alkylamine compound, a preparation method thereof and application of the aryl alkylamine compound in medicines. Particularly, the compound disclosed by the invention is suitable for being used as a calcium-sensitive recept

SPIROUREA DERIVATIVES

The invention relates to compounds of Formula (I) wherein X1, X2, X3, Y, R1, R2A, R2B, R3, and R4 are as described in the description; to their preparation, to pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing one or more compounds of Formula (I), and to the use of such compounds as medicaments, especially as Kv7 openers.

RAD51 INHIBITORS

This application is directed to inhibitors of RAD51 represented by the following structural formula, (I), and methods for their use, such as to treat cancer, autoimmune diseases, immune deficiencies, or neurodegenerative diseases.

PYRROLE COMPOUNDS

Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating diseases and/or conditions with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.

BICYCLIC COMPOUNDS

Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

Discovery of N-Cyano-sulfoximineurea Derivatives as Potent and Orally Bioavailable NLRP3 Inflammasome Inhibitors

NLRP3 inflammasome mediated release of interleukin-1β (IL-1β) has been implicated in various diseases. In this study, rationally designed mimics of sulfonylurea moiety were investigated as NLRP3 inhibitors. Our results culminated into discovery of series of unprecedented N-cyano sulfoximineurea derivatives as potent NLRP3 inflammasome inhibitors. Compound 15 (IC50 = 7 nM) and analogues were found to be highly potent and selective NLRP3 inflammasome inhibitor with good pharmacokinetic profile. These effects translate in vivo, as 15, 29, and 34 significantly inhibit NLRP3 dependent IL-1β secretion in mice.

JAK kinase inhibitor and application

The present invention discloses a compound having the following general formula (I). The present invention also discloses a JAK kinase inhibitor comprising the compound and application of the compoundin preparation of a medicament for treating JAK-associated diseases. The JAK kinase inhibitor can inhibit the biological activities of JAK1, JAK2, JAK3 and TYK2 kinases involved in various kinds of signal transduction, can effectively treat various inflammatory diseases and various JAK-mediated signal transduction-driven diseases, and has a very broad application prospect.