145349-17-3

Basic information

• Product Name: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate
• Synonyms: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate;OJFXAMILNHYNSV-UHFFFAOYSA-N
• CAS NO: 145349-17-3
• Molecular Formula: C₅H₈F₄O₃S
• Molecular Weight: 224.1738328
• Mol File: 145349-17-3.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 80 °C(Press: 55-60 Torr)
• Appearance: /
• Density: 1.397±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate(145349-17-3)
• EPA Substance Registry System: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate(145349-17-3)

Safety Data

• Hazardous Substances Data: 145349-17-3(Hazardous Substances Data)

Usage

Description

2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate, also known as 2-Fluoro-2-Methylpropyl triflimide, is an organic compound with the chemical formula CF3SO2OCH(CH3)CF3. It is a reagent used in organic synthesis and has unique properties due to the presence of the trifluoromethyl and fluoromethyl groups. Its structure allows it to participate in various chemical reactions, making it a valuable compound in the field of medicinal chemistry.

Uses

Used in Medicinal Chemistry:
2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate is used as a reagent for the optimization of binding motifs to AZD9496, a target in drug discovery. Its unique structure and reactivity enable the formation of specific interactions with the target molecule, which can lead to improved binding affinity and selectivity. This application is particularly relevant in the development of new drugs and therapeutic agents.

Upstream product

• 358-23-6 trifluoromethylsulfonic anhydride 
• 3109-99-7 2-fluoro-2-methyl-propan-1-ol 
• 1025373-45-8 trifluoromethanesulfonic acid anhydride 
• 1493-13-6 trifluorormethanesulfonic acid 

Downstream Products

• 848949-86-0 ethyl-2-(diphenylmethyleneamino)-4-fluoro-4-methylpentanoate 
• 19869-78-4 1-bromo-2-fluoro-2-methylpropane 
• 19869-79-5 1-Iod-2-fluor-2-methyl-propan 
• 883443-08-1 (2S,5R)-5-[(1S,2S)-1-benzyloxy-2-dibenzylamino-3-(3,5-difluorophenylpropyl)-2-(2-fluoro-2-methylpropoxy)]-morpholine-4-carboxylic acid tert-butyl ester 

Relevant articles and documents

Tricyclic Indazoles - A Novel Class of Selective Estrogen Receptor Degrader Antagonists

Herein, we report the identification and synthesis of a series of tricyclic indazoles as a novel class of selective estrogen receptor degrader antagonists. Replacement of a phenol, present in our previously reported tetrahydroisoquinoline scaffold, with an indazole group led to the removal of a reactive metabolite signal in an in vitro glutathione trapping assay. Further optimization, guided by X-ray crystal structures and NMR conformational work, varied the alkyl side chain and pendant aryl group and resulted in compounds with low turnover in human hepatocytes and enhanced chemical stability. Compound 9 was profiled as a representative of the series in terms of pharmacology and demonstrated the desired estrogen receptor α degrader-antagonist profile and demonstrated activity in a xenograft model of breast cancer.

METHODS OF TREATING ESTROGEN RECEPTOR-ASSOCIATED DISEASES

The present disclosure provides methods of treating estrogen receptor-associated diseases, disorders, and conditions.

REGIMENS OF ESTROGEN RECEPTOR ANTAGONISTS

Provided herein are methods of administering estrogen receptor antagonists for use in treatment of cancer. The antagonists (such as a hexahydro pyrido[3,4-b]indole, AZD9496, RAD-1901, ARN-810, endoxifen, or fulvestrant) may be an inhibitor of both activating function 1 and activating function 2 of the estrogen receptor. Also provided are combinations of above inhibitors with a secondary agent, which is a CDK 4/6 inhibitor (such as, palbocociclib, ribociclib, abemaciclib, lerociclib, and trilaciclib).