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

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

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

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

Downstream Products

• 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.

Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models

ATAD2 is an epigenetic bromodomain-containing target which is overexpressed in many cancers and has been suggested as a potential oncology target. While several small molecule inhibitors have been described in the literature, their cellular activity has proved to be underwhelming. In this work, we describe the identification of a novel series of ATAD2 inhibitors by high throughput screening, confirmation of the bromodomain region as the site of action, and the optimization campaign undertaken to improve the potency, selectivity, and permeability of the initial hit. The result is compound 5 (AZ13824374), a highly potent and selective ATAD2 inhibitor which shows cellular target engagement and antiproliferative activity in a range of breast cancer models.

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).

METHODS OF TREATING ESTROGEN RECEPTOR-ASSOCIATED DISEASES

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

INHIBITING HUMAN INTEGRIN α4β7

Disclosed are small molecule antagonists of human α4β7 integrin, and methods of using them to treat a number of diseases and conditions.

NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF

The present disclosure relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (I-A), wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent “A” group. The disclosure also relates to the preparation and to the therapeutic uses of the compounds of formula (I-A) as inhibitors and degraders of estrogen receptors.

NOVEL SALTS OF SELECTIVE ESTROGEN RECEPTOR DEGRADERS

Provided herein are compounds, salts, crystalline forms, and pharmaceutical compositions that are related to Selective Estrogen Receptor Degraders, as well as methods of preparing the same. Also provided herein are methods of using the compounds, salts, crystalline forms, and pharmaceutical compositions for the treatment of diseases or disorders, such as breast cancer.

NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF

The present invention relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (l-A): wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a s

Tetracyclic compound serving as selective estrogen receptor regulating agent and application thereof

The invention belongs to the field of medical chemistry, relates to a tetracyclic compound serving as a selective estrogen receptor regulating agent and application thereof, and particularly providesa compound shown as a formula I or an isomer, a pharmaceutically-acceptable salt, a solvate, a crystal or a prodrug thereof, preparation methods thereof, pharmaceutical compositions containing the compounds and application of the compounds or the compositions to the treatment and/or prevention of estrogen receptor related disease. The compound disclosed by the invention has more superior antineoplastic activity, and is expected to be a breast cancer treatment agent. The formula I is shown in the description.

CHEMICAL COMPOUNDS

The specification relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.