403853-48-5

Basic information

• Product Name: 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE
• Synonyms: 5-(TRIFLUOROMETHOXY)OXINDOLE;5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE;2-Oxo-5-(trifluoromethoxy)indoline;5-(Trifluoromethoxy)-1,3-dihydro-2H-indol-2-one;2-Oxo-5-(trifluoromethoxy)indoline 98%;2-Oxo-5-(trifluoromethoxy)indoline98%;5-Trifluoromethoxy-1,3-dihydroindol-2-one;5-(TrifluoroMethoxyl)oxindole
• CAS NO: 403853-48-5
• Molecular Formula: C₉H₆F₃NO₂
• Molecular Weight: 217.1446496
• Product Categories: blocks;IndolesOxindoles;Indoline & Oxindole
• Mol File: 403853-48-5.mol

Chemical Properties

• Boiling Point: 303.9 °C at 760 mmHg
• Flash Point: 137.6 °C
• Appearance: /
• Density: 1.433 g/cm³
• CAS DataBase Reference: 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE(403853-48-5)
• EPA Substance Registry System: 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE(403853-48-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-43
• Safety Statements: 36/37
• Hazardous Substances Data: 403853-48-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential biological activity. The trifluoromethoxy group attached to the indoline core can enhance the compound's pharmacokinetic and pharmacodynamic properties, making it a promising candidate for drug design and optimization.
Used in Agrochemical Industry:
In the agrochemical sector, 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE is utilized as a precursor in the creation of agrochemicals, potentially leading to the development of novel pesticides or other agricultural chemicals. Its unique structural features can be leveraged to improve the effectiveness and selectivity of these products.
Used in Organic Synthesis:
5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE is used as a building block in organic synthesis for its capacity to form a variety of complex organic compounds. Its reactivity and structural attributes make it suitable for the construction of diverse chemical entities, which can be applied in various fields, including materials science and specialty chemicals.
Used in Medicinal Chemistry:
Within the realm of medicinal chemistry, 5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE is employed as a reagent in the synthesis of bioactive molecules. Its unique structure allows for the exploration of new chemical space, potentially leading to the discovery of innovative therapeutic agents.
Used in Drug Discovery:
5-(TRIFLUOROMETHOXY)INDOLIN-2-ONE is utilized in drug discovery processes as a starting material for the development of new pharmaceutical entities. Its unique properties and reactivity make it a valuable component in the search for novel drug candidates with improved efficacy and safety profiles.

Upstream product

• 1416818-65-9 (E)-2-(hydroxyimino)-N-(4-(trifluoromethoxy)phenyl)acetamide 
• 461-82-5 4-(trifluoromethoxy)aniline 
• 169037-23-4 5-trifluoromethoxy-1H-indole-2,3-dione 

Downstream Products

• 169037-23-4 5-trifluoromethoxy-1H-indole-2,3-dione 

Relevant articles and documents

BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

A benzofuran-based N-acylhydrazone derivative according to the present invention has an excellent anticancer effect while having low toxicity and excellent solubility, and, thus, a pharmaceutical composition comprising the derivative can be usefully used to prevent or treat a cell proliferative disorder including various cancers. To this end, the present invention provides a compound represented by chemical formula 1, a stereoisomer thereof, or a pharmaceutically acceptable salt thereof.

LRRK2 INHIBITORS

Provided herein are compounds that inhibit or partially inhibit the activity of leucine rich repeat kinases. Also provided herein are methods of treatment of CNS disorders comprising administration of inhibitors of leucine rich repeat kinases.

Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors

The synthesis, structure-activity relationships (SAR) and structural data of a series of indolin-2-one inhibitors of RET tyrosine kinase are described. These compounds were designed to explore the available space around the indolinone scaffold within RET active site. Several substitutions at different positions were tested and biochemical data were used to draw a molecular model of steric and electrostatic interactions, which can be applied to design more potent and selective RET inhibitors. The crystal structures of RET kinase domain in complex with three inhibitors were solved. All three compounds bound in the ATP pocket and formed two hydrogen bonds with the kinase hinge region. Crystallographic analysis confirmed predictions from molecular modelling and helped refine SAR results. These data provide important information for the development of indolinone inhibitors for the treatment of RET-driven cancers.

Synthesis and antiproliferative activities of isoindigo and azaisoindigo derivatives

In the course of structure-activity relationship studies, diversely substituted 1-(β- d-acetylatedglucopyranosyl)isoindigo derivatives were prepared from indolines. New 7′-azaisoindigo analogues were also synthesized by coupling a glycosylated isatine and a 7-azaindolin-2-one derivative. Compounds containing a 7′-azaisoindigo framework have never been described before. To get an insight into the substitution pattern required for the best biological potencies, their antiproliferative activities were evaluated toward a human buccal carcinoma cell line (KB) and two human myeloid leukaemia cell lines (K562, HL60).